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

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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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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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

3-Amino-1,2,4-triazole 98.0+%, TCI America™

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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1H-1,2,3-Triazole, 98%

CAS: 288-36-8 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.067 MDL Number: MFCD00014490 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)	69.067
ChEBI	CHEBI:35565
MDL Number	MFCD00014490
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

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1,2,4-Triazole, sodium salt, 90%, technical

CAS: 41253-21-8 Molecular Formula: C₂H₂N₃Na Molecular Weight (g/mol): 91.05 MDL Number: MFCD00044437 InChI Key: NVMNEWNGLGACBB-UHFFFAOYSA-N Synonym: sodium 1,2,4-triazol-1-ide,1,2,4-triazolylsodium,1,2,4-triazole sodium derivative,1,2,4-triazole sodium salt,sodium 1,2,4-triazolide,1h-1,2,4-triazole, sodium salt,sodium 1h-1,2,4-triazolate,1,2,4-triazole sodium,sodium 1h-1,2,4-triazolide,1,2,4-triazole, sodium salt PubChem CID: 4649906 IUPAC Name: sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene SMILES: C1=NC=N[N-]1.[Na+]

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PubChem CID	4649906
CAS	41253-21-8
Molecular Weight (g/mol)	91.05
MDL Number	MFCD00044437
SMILES	C1=NC=N[N-]1.[Na+]
Synonym	sodium 1,2,4-triazol-1-ide,1,2,4-triazolylsodium,1,2,4-triazole sodium derivative,1,2,4-triazole sodium salt,sodium 1,2,4-triazolide,1h-1,2,4-triazole, sodium salt,sodium 1h-1,2,4-triazolate,1,2,4-triazole sodium,sodium 1h-1,2,4-triazolide,1,2,4-triazole, sodium salt
IUPAC Name	sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene
InChI Key	NVMNEWNGLGACBB-UHFFFAOYSA-N
Molecular Formula	C₂H₂N₃Na

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1H-1,2,4-Triazole-1-acetic acid, 97%

CAS: 28711-29-7 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.103 MDL Number: MFCD00036051 InChI Key: RXDBSQXFIWBJSR-UHFFFAOYSA-N Synonym: 1,2,4-triazole-1-acetic acid,2-1h-1,2,4-triazol-1-yl acetic acid,1h-1,2,4-triazole-1-acetic acid,1,2,4 triazol-1-yl-acetic acid,unii-w3ask2wbnh,1,2,4-triazol-1-ylacetic acid,w3ask2wbnh,1h-1,2,4-triazol-1-ylacetic acid,1h-1,2,4-triazol-1-yl acetic acid,1h-1,2,4-triazole-1-aceticacid PubChem CID: 1810180 IUPAC Name: 2-(1,2,4-triazol-1-yl)acetic acid SMILES: C1=NN(C=N1)CC(=O)O

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PubChem CID	1810180
CAS	28711-29-7
Molecular Weight (g/mol)	127.103
MDL Number	MFCD00036051
SMILES	C1=NN(C=N1)CC(=O)O
Synonym	1,2,4-triazole-1-acetic acid,2-1h-1,2,4-triazol-1-yl acetic acid,1h-1,2,4-triazole-1-acetic acid,1,2,4 triazol-1-yl-acetic acid,unii-w3ask2wbnh,1,2,4-triazol-1-ylacetic acid,w3ask2wbnh,1h-1,2,4-triazol-1-ylacetic acid,1h-1,2,4-triazol-1-yl acetic acid,1h-1,2,4-triazole-1-aceticacid
IUPAC Name	2-(1,2,4-triazol-1-yl)acetic acid
InChI Key	RXDBSQXFIWBJSR-UHFFFAOYSA-N
Molecular Formula	C4H5N3O2

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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

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

CAS: 119192-10-8 Molecular Formula: C9H10N4 Molecular Weight (g/mol): 174.207 MDL Number: MFCD00973306 InChI Key: ZGLQVRIVLWGDNA-UHFFFAOYSA-N Synonym: 4-1h-1,2,4-triazol-1-ylmethyl aniline,4-1h-1,2,4-triazol-1-yl methyl aniline,1-4-aminobenzyl-1,2,4-triazole,4-1,2,4-triazol-1-ylmethyl aniline,4-1h-1,2,4-triazol-1-yl-methyl benzenamine,4-1,2,4 triazol-1-ylmethylphenylamine,benzenamine, 4-1h-1,2,4-triazol-1-ylmethyl,4-1,2,4 triazol-1-ylmethyl-phenylamine,4-1h-1,2,4-triazol-1-yl-methyl aniline,4-1h-1,2,4-triazol-1-ylmethyl benzenamine PubChem CID: 821219 IUPAC Name: 4-(1,2,4-triazol-1-ylmethyl)aniline SMILES: C1=CC(=CC=C1CN2C=NC=N2)N

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PubChem CID	821219
CAS	119192-10-8
Molecular Weight (g/mol)	174.207
MDL Number	MFCD00973306
SMILES	C1=CC(=CC=C1CN2C=NC=N2)N
Synonym	4-1h-1,2,4-triazol-1-ylmethyl aniline,4-1h-1,2,4-triazol-1-yl methyl aniline,1-4-aminobenzyl-1,2,4-triazole,4-1,2,4-triazol-1-ylmethyl aniline,4-1h-1,2,4-triazol-1-yl-methyl benzenamine,4-1,2,4 triazol-1-ylmethylphenylamine,benzenamine, 4-1h-1,2,4-triazol-1-ylmethyl,4-1,2,4 triazol-1-ylmethyl-phenylamine,4-1h-1,2,4-triazol-1-yl-methyl aniline,4-1h-1,2,4-triazol-1-ylmethyl benzenamine
IUPAC Name	4-(1,2,4-triazol-1-ylmethyl)aniline
InChI Key	ZGLQVRIVLWGDNA-UHFFFAOYSA-N
Molecular Formula	C9H10N4

1-Methyl-1H-1,2,3-benzotriazole-5-carbaldehyde, 97%, Thermo Scientific™

CAS: 499770-67-1 Molecular Formula: C8H7N3O Molecular Weight (g/mol): 161.164 InChI Key: IPVPVOVAJDRRAK-UHFFFAOYSA-N Synonym: 1-methyl-1h-benzo d 1,2,3 triazole-5-carbaldehyde,1-methyl-1h-1,2,3-benzotriazole-5-carbaldehyde,1-methyl-1h-benzotriazole-5-carbaldehyde,1h-benzotriazole-5-carboxaldehyde, 1-methyl,1-methyl-1,2,3-benzotriazole-5-carbaldehyde,1-methyl-5-benzotriazolecarboxaldehyde,1-methylbenzotriazole-5-carboxaldehyde PubChem CID: 2795417 IUPAC Name: 1-methylbenzotriazole-5-carbaldehyde SMILES: CN1C2=C(C=C(C=C2)C=O)N=N1

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PubChem CID	2795417
CAS	499770-67-1
Molecular Weight (g/mol)	161.164
SMILES	CN1C2=C(C=C(C=C2)C=O)N=N1
Synonym	1-methyl-1h-benzo d 1,2,3 triazole-5-carbaldehyde,1-methyl-1h-1,2,3-benzotriazole-5-carbaldehyde,1-methyl-1h-benzotriazole-5-carbaldehyde,1h-benzotriazole-5-carboxaldehyde, 1-methyl,1-methyl-1,2,3-benzotriazole-5-carbaldehyde,1-methyl-5-benzotriazolecarboxaldehyde,1-methylbenzotriazole-5-carboxaldehyde
IUPAC Name	1-methylbenzotriazole-5-carbaldehyde
InChI Key	IPVPVOVAJDRRAK-UHFFFAOYSA-N
Molecular Formula	C8H7N3O

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1-Chloromethyl-1H-1,2,4-triazole hydrochloride, 96%

CAS: 84387-61-1 Molecular Formula: C3H4ClN3 Molecular Weight (g/mol): 117.54 MDL Number: MFCD00964947 InChI Key: PXNMFQMREJNQQT-UHFFFAOYSA-N PubChem CID: 3743882 SMILES: ClCN1C=NC=N1

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PubChem CID	3743882
CAS	84387-61-1
Molecular Weight (g/mol)	117.54
MDL Number	MFCD00964947
SMILES	ClCN1C=NC=N1
InChI Key	PXNMFQMREJNQQT-UHFFFAOYSA-N
Molecular Formula	C3H4ClN3

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