Triazoles

Organic heterocyclic compounds that consist of a five-membered ring made up of two carbon atoms and three nitrogen atoms.

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1,2,4-Triazole, 99%

CAS: 288-88-0 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.067 MDL Number: MFCD00005228 InChI Key: NSPMIYGKQJPBQR-UHFFFAOYSA-N Synonym: 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1

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PubChem CID	9257
CAS	288-88-0
Molecular Weight (g/mol)	69.067
ChEBI	CHEBI:35550
MDL Number	MFCD00005228
SMILES	C1=NC=NN1
Synonym	1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van
IUPAC Name	1H-1,2,4-triazole
InChI Key	NSPMIYGKQJPBQR-UHFFFAOYSA-N
Molecular Formula	C2H3N3

3-(1H-1,2,4-triazol-1-ylmethyl)benzoic acid, ≥97%, Thermo Scientific™

CAS: 857284-23-2 Molecular Formula: C10H9N3O2 Molecular Weight (g/mol): 203.20 MDL Number: MFCD07186456 InChI Key: XIJPFLBFQZEFKY-UHFFFAOYSA-N Synonym: 3-1h-1,2,4-triazol-1-ylmethyl benzoic acid,3-1,2,4 triazol-1-ylmethyl-benzoic acid,3-1,2,4-triazol-1-ylmethyl benzoic acid,benzoic acid,3-1h-1,2,4-triazol-1-ylmethyl,3-1,2,4-triazolylmethyl benzoic acid,3-1h-1,2,4-triazol-1-yl methyl benzoic acid,benzoic acid, 3-1h-1,2,4-triazol-1-ylmethyl PubChem CID: 3159713 IUPAC Name: 3-(1,2,4-triazol-1-ylmethyl)benzoic acid SMILES: OC(=O)C1=CC(CN2C=NC=N2)=CC=C1

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PubChem CID	3159713
CAS	857284-23-2
Molecular Weight (g/mol)	203.20
MDL Number	MFCD07186456
SMILES	OC(=O)C1=CC(CN2C=NC=N2)=CC=C1
Synonym	3-1h-1,2,4-triazol-1-ylmethyl benzoic acid,3-1,2,4 triazol-1-ylmethyl-benzoic acid,3-1,2,4-triazol-1-ylmethyl benzoic acid,benzoic acid,3-1h-1,2,4-triazol-1-ylmethyl,3-1,2,4-triazolylmethyl benzoic acid,3-1h-1,2,4-triazol-1-yl methyl benzoic acid,benzoic acid, 3-1h-1,2,4-triazol-1-ylmethyl
IUPAC Name	3-(1,2,4-triazol-1-ylmethyl)benzoic acid
InChI Key	XIJPFLBFQZEFKY-UHFFFAOYSA-N
Molecular Formula	C10H9N3O2

5-(Bromomethyl)-1-methyl-1H-1,2,3-benzotriazole, 90+%, Thermo Scientific™

CAS: 499770-76-2 Molecular Formula: C8H8BrN3 Molecular Weight (g/mol): 226.077 InChI Key: OSUZHHPMRAIJDY-UHFFFAOYSA-N Synonym: 5-bromomethyl-1-methyl-1h-benzo d 1,2,3 triazole,5-bromomethyl-1-methyl-1h-1,2,3-benzotriazole,5-bromomethyl-1-methylbenzotriazole,5-bromomethyl-1-methyl-benzotriazole,1h-benzotriazole, 5-bromomethyl-1-methyl,5-bromomethyl-1-methyl-1,2,3-benzotriazole,5-bromomethyl-1-methyl-1h-benzotriazole PubChem CID: 2795418 IUPAC Name: 5-(bromomethyl)-1-methylbenzotriazole SMILES: CN1C2=C(C=C(C=C2)CBr)N=N1

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PubChem CID	2795418
CAS	499770-76-2
Molecular Weight (g/mol)	226.077
SMILES	CN1C2=C(C=C(C=C2)CBr)N=N1
Synonym	5-bromomethyl-1-methyl-1h-benzo d 1,2,3 triazole,5-bromomethyl-1-methyl-1h-1,2,3-benzotriazole,5-bromomethyl-1-methylbenzotriazole,5-bromomethyl-1-methyl-benzotriazole,1h-benzotriazole, 5-bromomethyl-1-methyl,5-bromomethyl-1-methyl-1,2,3-benzotriazole,5-bromomethyl-1-methyl-1h-benzotriazole
IUPAC Name	5-(bromomethyl)-1-methylbenzotriazole
InChI Key	OSUZHHPMRAIJDY-UHFFFAOYSA-N
Molecular Formula	C8H8BrN3

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5-Methyl-1H-benzotriazole, 98+%

CAS: 136-85-6 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.15 MDL Number: MFCD00005702 InChI Key: LRUDIIUSNGCQKF-UHFFFAOYSA-N Synonym: 5-methyl-1h-benzotriazole,5-methylbenzotriazole,tolutriazole,5-tolyltriazole,1h-benzotriazole, 5-methyl,6-methylbenzotriazole,5-methyl-1h-benzo d 1,2,3 triazole,5-methyl-1,2,3-benzotriazole,6-methyl-1,2,3-benzotriazole,t56 bmnnj g1 PubChem CID: 8705 ChEBI: CHEBI:83455 IUPAC Name: 5-methyl-2H-benzotriazole SMILES: CC1=CC2=NNN=C2C=C1

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PubChem CID	8705
CAS	136-85-6
Molecular Weight (g/mol)	133.15
ChEBI	CHEBI:83455
MDL Number	MFCD00005702
SMILES	CC1=CC2=NNN=C2C=C1
Synonym	5-methyl-1h-benzotriazole,5-methylbenzotriazole,tolutriazole,5-tolyltriazole,1h-benzotriazole, 5-methyl,6-methylbenzotriazole,5-methyl-1h-benzo d 1,2,3 triazole,5-methyl-1,2,3-benzotriazole,6-methyl-1,2,3-benzotriazole,t56 bmnnj g1
IUPAC Name	5-methyl-2H-benzotriazole
InChI Key	LRUDIIUSNGCQKF-UHFFFAOYSA-N
Molecular Formula	C7H7N3

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1,2,3-1H-Triazole, 97%

CAS: 288-36-8 Molecular Formula: C₂H₃N₃ Molecular Weight (g/mol): 69.07 InChI Key: QWENRTYMTSOGBR-UHFFFAOYSA-N Synonym: 1h-1,2,3-triazole,1,2,3-triazole,2h-1,2,3-triazole,1,2,3-1h-triazole,triazole,triazol,osotriazole,v-triazole,1,2,3-triazol,1,2,3 triazole PubChem CID: 67516 ChEBI: CHEBI:35565 IUPAC Name: 2H-triazole SMILES: C1=NNN=C1

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PubChem CID	67516
CAS	288-36-8
Molecular Weight (g/mol)	69.07
ChEBI	CHEBI:35565
SMILES	C1=NNN=C1
Synonym	1h-1,2,3-triazole,1,2,3-triazole,2h-1,2,3-triazole,1,2,3-1h-triazole,triazole,triazol,osotriazole,v-triazole,1,2,3-triazol,1,2,3 triazole
IUPAC Name	2H-triazole
InChI Key	QWENRTYMTSOGBR-UHFFFAOYSA-N
Molecular Formula	C₂H₃N₃

Ethyl 1-Hydroxy-1H-1,2,3-triazole-4-carboxylate 98.0+%, TCI America™

CAS: 137156-41-3 Molecular Formula: C5H7N3O3 Molecular Weight (g/mol): 157.129 MDL Number: MFCD06796746 InChI Key: FIRHQRGFVOSDDY-UHFFFAOYSA-N Synonym: 1-Hydroxy-1H-1,2,3-triazole-4-carboxylic Acid Ethyl Ester PubChem CID: 5270538 IUPAC Name: ethyl 1-hydroxytriazole-4-carboxylate SMILES: CCOC(=O)C1=CN(N=N1)O

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PubChem CID	5270538
CAS	137156-41-3
Molecular Weight (g/mol)	157.129
MDL Number	MFCD06796746
SMILES	CCOC(=O)C1=CN(N=N1)O
Synonym	1-Hydroxy-1H-1,2,3-triazole-4-carboxylic Acid Ethyl Ester
IUPAC Name	ethyl 1-hydroxytriazole-4-carboxylate
InChI Key	FIRHQRGFVOSDDY-UHFFFAOYSA-N
Molecular Formula	C5H7N3O3

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4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole, 99+%, Thermo Scientific Chemicals

CAS: 1750-12-5 Molecular Formula: C2H6N6S Molecular Weight (g/mol): 146.172 MDL Number: MFCD00003098 InChI Key: RDIMQHBOTMWMJA-UHFFFAOYSA-N Synonym: 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole,purpald,4-amino-3-hydrazino-1,2,4-triazol-5-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, hydrazone,purpald r,4-amino-5-hydrazino-1,2,4-triazole-3-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, 3-hydrazone,4-amino-5-hydrazinyl-4h-1,2,4-triazole-3-thiol,3h-1,2,4-triazole-3-thione, 4-amino-5-hydrazinyl-2,4-dihydro,4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol PubChem CID: 2723946 IUPAC Name: 4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione SMILES: C1(=S)NN=C(N1N)NN

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PubChem CID	2723946
CAS	1750-12-5
Molecular Weight (g/mol)	146.172
MDL Number	MFCD00003098
SMILES	C1(=S)NN=C(N1N)NN
Synonym	4-amino-3-hydrazino-5-mercapto-1,2,4-triazole,purpald,4-amino-3-hydrazino-1,2,4-triazol-5-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, hydrazone,purpald r,4-amino-5-hydrazino-1,2,4-triazole-3-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, 3-hydrazone,4-amino-5-hydrazinyl-4h-1,2,4-triazole-3-thiol,3h-1,2,4-triazole-3-thione, 4-amino-5-hydrazinyl-2,4-dihydro,4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol
IUPAC Name	4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione
InChI Key	RDIMQHBOTMWMJA-UHFFFAOYSA-N
Molecular Formula	C2H6N6S

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1H-Benzotriazole, 99%

CAS: 95-14-7 Molecular Formula: C₆H₅N₃ Molecular Weight (g/mol): 119.13 MDL Number: MFCD00005699 InChI Key: QRUDEWIWKLJBPS-UHFFFAOYSA-N Synonym: 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 IUPAC Name: 2H-benzotriazole SMILES: C1=CC2=NNN=C2C=C1

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PubChem CID	7220
CAS	95-14-7
Molecular Weight (g/mol)	119.13
ChEBI	CHEBI:75331
MDL Number	MFCD00005699
SMILES	C1=CC2=NNN=C2C=C1
Synonym	1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole
IUPAC Name	2H-benzotriazole
InChI Key	QRUDEWIWKLJBPS-UHFFFAOYSA-N
Molecular Formula	C₆H₅N₃

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1H-Benzotriazole, 99%

CAS: 95-14-7 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.127 MDL Number: MFCD00005699 InChI Key: QRUDEWIWKLJBPS-UHFFFAOYSA-N Synonym: 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 IUPAC Name: 2H-benzotriazole SMILES: C1=CC2=NNN=C2C=C1

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PubChem CID	7220
CAS	95-14-7
Molecular Weight (g/mol)	119.127
ChEBI	CHEBI:75331
MDL Number	MFCD00005699
SMILES	C1=CC2=NNN=C2C=C1
Synonym	1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole
IUPAC Name	2H-benzotriazole
InChI Key	QRUDEWIWKLJBPS-UHFFFAOYSA-N
Molecular Formula	C6H5N3

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3-Amino-5-mercapto-1,2,4-triazole, 97+%

CAS: 16691-43-3 Molecular Formula: C2H4N4S Molecular Weight (g/mol): 116.14 MDL Number: MFCD00005231 InChI Key: WZUUZPAYWFIBDF-UHFFFAOYSA-N Synonym: 3-amino-5-mercapto-1,2,4-triazole,iminothiourazole,3-imino-5-thiourazole,3-amino-1h-1,2,4-triazole-5-thiol,5-amino-4h-1,2,4-triazole-3-thiol,3-amino-1,2,4-triazole-5-thiol,s-triazole-3-thiol, 5-amino,3h-1,2,4-triazole-3-thione, 5-amino-1,2-dihydro,5-amino-1,2-dihydro-3h-1,2,4-triazole-3-thione,unii-353f2d8l1z PubChem CID: 2723869 SMILES: NC1=NC(=S)NN1

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PubChem CID	2723869
CAS	16691-43-3
Molecular Weight (g/mol)	116.14
MDL Number	MFCD00005231
SMILES	NC1=NC(=S)NN1
Synonym	3-amino-5-mercapto-1,2,4-triazole,iminothiourazole,3-imino-5-thiourazole,3-amino-1h-1,2,4-triazole-5-thiol,5-amino-4h-1,2,4-triazole-3-thiol,3-amino-1,2,4-triazole-5-thiol,s-triazole-3-thiol, 5-amino,3h-1,2,4-triazole-3-thione, 5-amino-1,2-dihydro,5-amino-1,2-dihydro-3h-1,2,4-triazole-3-thione,unii-353f2d8l1z
InChI Key	WZUUZPAYWFIBDF-UHFFFAOYSA-N
Molecular Formula	C2H4N4S

3-Amino-1,2,4-triazole, 96.1%, MP Biomedicals™

CAS: 61-82-5 Molecular Formula: C2H4N4 Molecular Weight (g/mol): 84.08 MDL Number: MFCD00005230,MFCD00053362 InChI Key: KLSJWNVTNUYHDU-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox PubChem CID: 1639 ChEBI: CHEBI:40036 IUPAC Name: 1H-1,2,4-triazol-5-amine SMILES: NC1=NC=NN1

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PubChem CID	1639
CAS	61-82-5
Molecular Weight (g/mol)	84.08
ChEBI	CHEBI:40036
MDL Number	MFCD00005230,MFCD00053362
SMILES	NC1=NC=NN1
Synonym	3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox
IUPAC Name	1H-1,2,4-triazol-5-amine
InChI Key	KLSJWNVTNUYHDU-UHFFFAOYSA-N
Molecular Formula	C2H4N4

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8-Azahypoxanthine, 98%

CAS: 2683-90-1 Molecular Formula: C4H3N5O Molecular Weight (g/mol): 137.10 MDL Number: MFCD00005804 InChI Key: OEEYCNOOAHGFHL-UHFFFAOYSA-N Synonym: 8-azahypoxanthine,azahypoxanthine,3h-1,2,3 triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-1,2,3,4,6-pentaazaindene,7h-1,2,3-triazolo 4,5-d pyrimidin-7-one, 1,4-dihydro,7-hydroxy-v-triazolo d pyrimidine,1h-1,2,3-triazolo 4,5-d pyrimidin-7-ol,v-triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-3h-1,2,3 triazolo 4,5-d pyrimidine PubChem CID: 75895 IUPAC Name: 2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one SMILES: O=C1N=CN=C2NNN=C12

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PubChem CID	75895
CAS	2683-90-1
Molecular Weight (g/mol)	137.10
MDL Number	MFCD00005804
SMILES	O=C1N=CN=C2NNN=C12
Synonym	8-azahypoxanthine,azahypoxanthine,3h-1,2,3 triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-1,2,3,4,6-pentaazaindene,7h-1,2,3-triazolo 4,5-d pyrimidin-7-one, 1,4-dihydro,7-hydroxy-v-triazolo d pyrimidine,1h-1,2,3-triazolo 4,5-d pyrimidin-7-ol,v-triazolo 4,5-d pyrimidin-7-ol,7-hydroxy-3h-1,2,3 triazolo 4,5-d pyrimidine
IUPAC Name	2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one
InChI Key	OEEYCNOOAHGFHL-UHFFFAOYSA-N
Molecular Formula	C4H3N5O

1-Chloromethyl-1H-1,2,4-triazole, hydrochloride, 98%, Thermo Scientific™

CAS: 84387-61-1 Molecular Formula: C3H5Cl2N3 Molecular Weight (g/mol): 153.99 MDL Number: MFCD00964947 InChI Key: GXVWDLWTFIDZLR-UHFFFAOYSA-N Synonym: 1-chloromethyl-1h-1,2,4-triazole hydrochloride,1-chloromethyl-1,2,4-triazole hydrochloride,1h-1,2,4-triazole,1-chloromethyl-,monohydrochloride,1h-1,2,4-triazole, 1-chloromethyl-, monohydrochloride PubChem CID: 13268168 IUPAC Name: 1-(chloromethyl)-1,2,4-triazole;hydrochloride SMILES: Cl.ClCN1C=NC=N1

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PubChem CID	13268168
CAS	84387-61-1
Molecular Weight (g/mol)	153.99
MDL Number	MFCD00964947
SMILES	Cl.ClCN1C=NC=N1
Synonym	1-chloromethyl-1h-1,2,4-triazole hydrochloride,1-chloromethyl-1,2,4-triazole hydrochloride,1h-1,2,4-triazole,1-chloromethyl-,monohydrochloride,1h-1,2,4-triazole, 1-chloromethyl-, monohydrochloride
IUPAC Name	1-(chloromethyl)-1,2,4-triazole;hydrochloride
InChI Key	GXVWDLWTFIDZLR-UHFFFAOYSA-N
Molecular Formula	C3H5Cl2N3

3-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile, ≥97%, Thermo Scientific™

CAS: 876728-37-9 Molecular Formula: C10H8N4 Molecular Weight (g/mol): 184.20 MDL Number: MFCD08271931 InChI Key: ZYQNZNVPCHZDLT-UHFFFAOYSA-N Synonym: 3-1h-1,2,4-triazol-1-ylmethyl benzonitrile,3-1,2,4-triazol-1-ylmethyl benzonitrile,3-1h-1,2,4-triazol-1-yl methyl benzonitrile,3-1,2,4-triazolylmethyl benzenecarbonitrile,benzonitrile,3-1h-1,2,4-triazol-1-ylmethyl PubChem CID: 22360594 IUPAC Name: 3-(1,2,4-triazol-1-ylmethyl)benzonitrile SMILES: N#CC1=CC(CN2C=NC=N2)=CC=C1

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PubChem CID	22360594
CAS	876728-37-9
Molecular Weight (g/mol)	184.20
MDL Number	MFCD08271931
SMILES	N#CC1=CC(CN2C=NC=N2)=CC=C1
Synonym	3-1h-1,2,4-triazol-1-ylmethyl benzonitrile,3-1,2,4-triazol-1-ylmethyl benzonitrile,3-1h-1,2,4-triazol-1-yl methyl benzonitrile,3-1,2,4-triazolylmethyl benzenecarbonitrile,benzonitrile,3-1h-1,2,4-triazol-1-ylmethyl
IUPAC Name	3-(1,2,4-triazol-1-ylmethyl)benzonitrile
InChI Key	ZYQNZNVPCHZDLT-UHFFFAOYSA-N
Molecular Formula	C10H8N4

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3,5-Diamino-1,2,4-triazole, 98%

CAS: 1455-77-2 Molecular Formula: C₂H₅N₅ Molecular Weight (g/mol): 99.09 MDL Number: MFCD00005233 InChI Key: PKWIYNIDEDLDCJ-UHFFFAOYSA-N Synonym: guanazole,3,5-diamino-1,2,4-triazole,4h-1,2,4-triazole-3,5-diamine,3,5-diamino-1h-1,2,4-triazole,3,5-diamino-s-triazole,s-triazole, 3,5-diamino,1,2,4-triazolidine, 3,5-diimino,unii-i01twm5267,ccris 3745,3-amino-1h-1,2,4-triazol-5-ylamine PubChem CID: 15078 ChEBI: CHEBI:75425 IUPAC Name: 1H-1,2,4-triazole-3,5-diamine SMILES: C1(=NC(=NN1)N)N

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Specifications

PubChem CID	15078
CAS	1455-77-2
Molecular Weight (g/mol)	99.09
ChEBI	CHEBI:75425
MDL Number	MFCD00005233
SMILES	C1(=NC(=NN1)N)N
Synonym	guanazole,3,5-diamino-1,2,4-triazole,4h-1,2,4-triazole-3,5-diamine,3,5-diamino-1h-1,2,4-triazole,3,5-diamino-s-triazole,s-triazole, 3,5-diamino,1,2,4-triazolidine, 3,5-diimino,unii-i01twm5267,ccris 3745,3-amino-1h-1,2,4-triazol-5-ylamine
IUPAC Name	1H-1,2,4-triazole-3,5-diamine
InChI Key	PKWIYNIDEDLDCJ-UHFFFAOYSA-N
Molecular Formula	C₂H₅N₅

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