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

3-Amino-1H-1,2,4-triazole, 96%

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

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

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

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

CAS: 160388-54-5 Molecular Formula: C10H9N3O2 Molecular Weight (g/mol): 203.201 MDL Number: MFCD07187900 InChI Key: DJXUEFGFCMIONN-UHFFFAOYSA-N PubChem CID: 3159714 IUPAC Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid SMILES: C1=CC(=CC=C1CN2C=NC=N2)C(=O)O

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PubChem CID	3159714
CAS	160388-54-5
Molecular Weight (g/mol)	203.201
MDL Number	MFCD07187900
SMILES	C1=CC(=CC=C1CN2C=NC=N2)C(=O)O
IUPAC Name	4-(1,2,4-triazol-1-ylmethyl)benzoic acid
InChI Key	DJXUEFGFCMIONN-UHFFFAOYSA-N
Molecular Formula	C10H9N3O2

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

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

1H-Benzotriazol-1-yloxytri(1-pyrrolidinyl)phosphonium hexafluorophosphate, 98%

CAS: 128625-52-5 Molecular Formula: C18H28F6N6OP2 Molecular Weight (g/mol): 520.401 MDL Number: MFCD00077411 InChI Key: VIAFLMPQBHAMLI-UHFFFAOYSA-N Synonym: pybop,1h-benzo d 1,2,3 triazol-1-yl oxy tri pyrrolidin-1-yl phosphonium hexafluorophosphate v,benzotriazol-1-yloxy tripyrrolidinophosphonium hexafluorophosphate,benzotriazole-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yloxytris pyrrolidino phosphonium hexafluorophosphate,benzotriazole-1-yl-oxy-tris-pyrrolidino-phosphonium hexafluorophosphate,benzotriazol-1-yl-oxy-tripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinphosphonium hexafluorophosphate PubChem CID: 2724699 IUPAC Name: benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium;hexafluorophosphate SMILES: C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4.F[P-](F)(F)(F)(F)F

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PubChem CID	2724699
CAS	128625-52-5
Molecular Weight (g/mol)	520.401
MDL Number	MFCD00077411
SMILES	C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4.F[P-](F)(F)(F)(F)F
Synonym	pybop,1h-benzo d 1,2,3 triazol-1-yl oxy tri pyrrolidin-1-yl phosphonium hexafluorophosphate v,benzotriazol-1-yloxy tripyrrolidinophosphonium hexafluorophosphate,benzotriazole-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate,1h-benzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yloxytris pyrrolidino phosphonium hexafluorophosphate,benzotriazole-1-yl-oxy-tris-pyrrolidino-phosphonium hexafluorophosphate,benzotriazol-1-yl-oxy-tripyrrolidinophosphonium hexafluorophosphate,benzotriazol-1-yl-oxytripyrrolidinphosphonium hexafluorophosphate
IUPAC Name	benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium;hexafluorophosphate
InChI Key	VIAFLMPQBHAMLI-UHFFFAOYSA-N
Molecular Formula	C18H28F6N6OP2

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

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

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

5-Chloro-1,2,4-triazolo[4,3-a]pyridine, 97%

CAS: 27187-13-9 Molecular Formula: C6H4ClN3 Molecular Weight (g/mol): 153.57 MDL Number: MFCD11109431 InChI Key: FBQZXTMUYNKLRF-UHFFFAOYSA-N Synonym: 5-chloro-1,2,4 triazolo 4,3-a pyridine,5-chloro-1,2,4-triazolo 4,3-a pyridine,1,2,4-triazolo 4,3-a pyridine, 5-chloro,5-chloro 1,2,4 triazolo 4,3-a pyridine PubChem CID: 324440 IUPAC Name: 5-chloro-[1,2,4]triazolo[4,3-a]pyridine SMILES: ClC1=CC=CC2=NN=CN12

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Specifications

PubChem CID	324440
CAS	27187-13-9
Molecular Weight (g/mol)	153.57
MDL Number	MFCD11109431
SMILES	ClC1=CC=CC2=NN=CN12
Synonym	5-chloro-1,2,4 triazolo 4,3-a pyridine,5-chloro-1,2,4-triazolo 4,3-a pyridine,1,2,4-triazolo 4,3-a pyridine, 5-chloro,5-chloro 1,2,4 triazolo 4,3-a pyridine
IUPAC Name	5-chloro-[1,2,4]triazolo[4,3-a]pyridine
InChI Key	FBQZXTMUYNKLRF-UHFFFAOYSA-N
Molecular Formula	C6H4ClN3

5-Amino-4H-1,2,4-triazole-3-thiol, tech., Thermo Scientific™

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 IUPAC Name: 5-amino-1,2-dihydro-1,2,4-triazole-3-thione SMILES: NC1=NC(=S)NN1

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Specifications

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
IUPAC Name	5-amino-1,2-dihydro-1,2,4-triazole-3-thione
InChI Key	WZUUZPAYWFIBDF-UHFFFAOYSA-N
Molecular Formula	C2H4N4S

1-Methyl-1,2,4-triazole, 98%

CAS: 6086-21-1 Molecular Formula: C3H5N3 Molecular Weight (g/mol): 83.09 MDL Number: MFCD01076192 InChI Key: MWZDIEIXRBWPLG-UHFFFAOYSA-N Synonym: 1-methyl-1h-1,2,4-triazole,1h-1,2,4-triazole, 1-methyl,1-methyl,-1,2,4-triazole,1-methyl-1h-1,2,4 triazole,pubchem22534,acmc-1avow,ksc495k1j PubChem CID: 22459 SMILES: CN1C=NC=N1

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Specifications

PubChem CID	22459
CAS	6086-21-1
Molecular Weight (g/mol)	83.09
MDL Number	MFCD01076192
SMILES	CN1C=NC=N1
Synonym	1-methyl-1h-1,2,4-triazole,1h-1,2,4-triazole, 1-methyl,1-methyl,-1,2,4-triazole,1-methyl-1h-1,2,4 triazole,pubchem22534,acmc-1avow,ksc495k1j
InChI Key	MWZDIEIXRBWPLG-UHFFFAOYSA-N
Molecular Formula	C3H5N3

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