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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3-Amino-1,2,4-triazole-5-carboxylic Acid Hemihydrate 98.0+%, TCI America™

CAS: 3641-13-2 Molecular Formula: C3H4N4O2 Molecular Weight (g/mol): 128.09 MDL Number: MFCD00010620 MFCD00179325 MFCD00225624 InChI Key: MVRGLMCHDCMPKD-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazole-5-carboxylic acid,5-amino-4h-1,2,4-triazole-3-carboxylic acid,5-amino-1h-1,2,4-triazole-3-carboxylic acid,1h-1,2,4-triazole-3-carboxylic acid, 5-amino,5-amino-1,2,4-triazole-3-carboxylic acid,s-triazole-3-carboxylic acid, 5-amino,5-amino-2h-1,2,4-triazole-3-carboxylic acid,5-amino-1h-1,2,4 triazole-3-carboxylic acid,5-amino-2h-1,2,4 triazole-3-carboxylic acid,1h-1,4-triazole-3-carboxylic acid, 5-amino PubChem CID: 77200 IUPAC Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid SMILES: NC1=NNC(=N1)C(O)=O

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PubChem CID	77200
CAS	3641-13-2
Molecular Weight (g/mol)	128.09
MDL Number	MFCD00010620 MFCD00179325 MFCD00225624
SMILES	NC1=NNC(=N1)C(O)=O
Synonym	3-amino-1,2,4-triazole-5-carboxylic acid,5-amino-4h-1,2,4-triazole-3-carboxylic acid,5-amino-1h-1,2,4-triazole-3-carboxylic acid,1h-1,2,4-triazole-3-carboxylic acid, 5-amino,5-amino-1,2,4-triazole-3-carboxylic acid,s-triazole-3-carboxylic acid, 5-amino,5-amino-2h-1,2,4-triazole-3-carboxylic acid,5-amino-1h-1,2,4 triazole-3-carboxylic acid,5-amino-2h-1,2,4 triazole-3-carboxylic acid,1h-1,4-triazole-3-carboxylic acid, 5-amino
IUPAC Name	3-amino-1H-1,2,4-triazole-5-carboxylic acid
InChI Key	MVRGLMCHDCMPKD-UHFFFAOYSA-N
Molecular Formula	C3H4N4O2

2-n-Octylbenzotriazole 98.0+%, TCI America™

CAS: 112642-69-0 Molecular Formula: C14H21N3 Molecular Weight (g/mol): 231.343 InChI Key: WESNTVKWORZVQQ-UHFFFAOYSA-N PubChem CID: 4371641 IUPAC Name: 2-octylbenzotriazole SMILES: CCCCCCCCN1N=C2C=CC=CC2=N1

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PubChem CID	4371641
CAS	112642-69-0
Molecular Weight (g/mol)	231.343
SMILES	CCCCCCCCN1N=C2C=CC=CC2=N1
IUPAC Name	2-octylbenzotriazole
InChI Key	WESNTVKWORZVQQ-UHFFFAOYSA-N
Molecular Formula	C14H21N3

1,1'-Carbonyldi(1,2,4-triazole) 97.0+%, TCI America™

CAS: 41864-22-6 Molecular Formula: C5H4N6O Molecular Weight (g/mol): 164.128 MDL Number: MFCD00043399 InChI Key: YHNUDLCUIKMNSN-UHFFFAOYSA-N PubChem CID: 4393961 IUPAC Name: bis(1,2,4-triazol-1-yl)methanone SMILES: C1=NN(C=N1)C(=O)N2C=NC=N2

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PubChem CID	4393961
CAS	41864-22-6
Molecular Weight (g/mol)	164.128
MDL Number	MFCD00043399
SMILES	C1=NN(C=N1)C(=O)N2C=NC=N2
IUPAC Name	bis(1,2,4-triazol-1-yl)methanone
InChI Key	YHNUDLCUIKMNSN-UHFFFAOYSA-N
Molecular Formula	C5H4N6O

1-Aminobenzotriazole 98.0+%, TCI America™

CAS: 1614-12-6 Molecular Formula: C6H6N4 Molecular Weight (g/mol): 134.142 MDL Number: MFCD00132902 InChI Key: JCXKHYLLVKZPKE-UHFFFAOYSA-N Synonym: 1-aminobenzotriazole,1h-benzotriazol-1-amine,1h-benzo d 1,2,3 triazol-1-amine,1-benzotriazolamine,1-abtz,1h-1,2,3-benzotriazol-1-amine,1h-1,2,3-benzotriazol-1-ylamine,1,2,3-benzotriazol-1-amine,benzotriazolylamine,1-benzotriazolylamine PubChem CID: 1367 IUPAC Name: benzotriazol-1-amine SMILES: C1=CC=C2C(=C1)N=NN2N

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PubChem CID	1367
CAS	1614-12-6
Molecular Weight (g/mol)	134.142
MDL Number	MFCD00132902
SMILES	C1=CC=C2C(=C1)N=NN2N
Synonym	1-aminobenzotriazole,1h-benzotriazol-1-amine,1h-benzo d 1,2,3 triazol-1-amine,1-benzotriazolamine,1-abtz,1h-1,2,3-benzotriazol-1-amine,1h-1,2,3-benzotriazol-1-ylamine,1,2,3-benzotriazol-1-amine,benzotriazolylamine,1-benzotriazolylamine
IUPAC Name	benzotriazol-1-amine
InChI Key	JCXKHYLLVKZPKE-UHFFFAOYSA-N
Molecular Formula	C6H6N4

2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine 98.0+%, TCI America™

CAS: 219508-27-7 Molecular Formula: C8H5F3N4 Molecular Weight (g/mol): 214.151 MDL Number: MFCD26403657 InChI Key: MOGTVLAYAVGOJK-UHFFFAOYSA-N Synonym: 3-(Trifluoromethyl)-5-(2-pyridyl)-1,2,4-triazole PubChem CID: 20807129 IUPAC Name: 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine SMILES: C1=CC=NC(=C1)C2=NNC(=N2)C(F)(F)F

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PubChem CID	20807129
CAS	219508-27-7
Molecular Weight (g/mol)	214.151
MDL Number	MFCD26403657
SMILES	C1=CC=NC(=C1)C2=NNC(=N2)C(F)(F)F
Synonym	3-(Trifluoromethyl)-5-(2-pyridyl)-1,2,4-triazole
IUPAC Name	2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
InChI Key	MOGTVLAYAVGOJK-UHFFFAOYSA-N
Molecular Formula	C8H5F3N4

1,4-Dimethyl-1,2,4-triazolium Iodide 98.0+%, TCI America™

CAS: 120317-69-3 Molecular Formula: C4H8IN3 Molecular Weight (g/mol): 225.033 InChI Key: IMFBMMNQDMTHGG-UHFFFAOYSA-M PubChem CID: 10987916 IUPAC Name: 1,4-dimethyl-1,2,4-triazol-4-ium;iodide SMILES: CN1C=[N+](C=N1)C.[I-]

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PubChem CID	10987916
CAS	120317-69-3
Molecular Weight (g/mol)	225.033
SMILES	CN1C=[N+](C=N1)C.[I-]
IUPAC Name	1,4-dimethyl-1,2,4-triazol-4-ium;iodide
InChI Key	IMFBMMNQDMTHGG-UHFFFAOYSA-M
Molecular Formula	C4H8IN3

8-Azahypoxanthine 98.0+%, TCI America™

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: 2H,3H,7H-[1,2,3]triazolo[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	2H,3H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
InChI Key	OEEYCNOOAHGFHL-UHFFFAOYSA-N
Molecular Formula	C4H3N5O

1H-1,2,3-Triazolo[4,5-b]pyridine 98.0+%, TCI America™

CAS: 273-34-7 Molecular Formula: C5H4N4 Molecular Weight (g/mol): 120.12 MDL Number: MFCD00134183 InChI Key: VQNDBXJTIJKJPV-UHFFFAOYSA-N Synonym: 4-Azabenzotriazole PubChem CID: 136085 IUPAC Name: 2H-[1,2,3]triazolo[4,5-b]pyridine SMILES: N1N=C2C=CC=NC2=N1

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Specifications

PubChem CID	136085
CAS	273-34-7
Molecular Weight (g/mol)	120.12
MDL Number	MFCD00134183
SMILES	N1N=C2C=CC=NC2=N1
Synonym	4-Azabenzotriazole
IUPAC Name	2H-[1,2,3]triazolo[4,5-b]pyridine
InChI Key	VQNDBXJTIJKJPV-UHFFFAOYSA-N
Molecular Formula	C5H4N4

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

CAS: 3179-31-5 Molecular Formula: C2H3N3S Molecular Weight (g/mol): 101.13 MDL Number: MFCD00005229 InChI Key: AFBBKYQYNPNMAT-UHFFFAOYSA-N Synonym: 1h-1,2,4-triazole-3-thiol,3-mercapto-1,2,4-triazole,1,2,4-triazole-3-thiol,mercaptotriazole,4h-1,2,4-triazole-3-thiol,s-triazole-3-thiol,3-mercapto-1h-1,2,4-triazole,1,2,4-triazole-5-thiol,1,3,4-triazine-2-thiol,1,3,4-triazole-2-thiol PubChem CID: 2723802 IUPAC Name: 2,3-dihydro-1H-1,2,4-triazole-3-thione SMILES: S=C1NNC=N1

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PubChem CID	2723802
CAS	3179-31-5
Molecular Weight (g/mol)	101.13
MDL Number	MFCD00005229
SMILES	S=C1NNC=N1
Synonym	1h-1,2,4-triazole-3-thiol,3-mercapto-1,2,4-triazole,1,2,4-triazole-3-thiol,mercaptotriazole,4h-1,2,4-triazole-3-thiol,s-triazole-3-thiol,3-mercapto-1h-1,2,4-triazole,1,2,4-triazole-5-thiol,1,3,4-triazine-2-thiol,1,3,4-triazole-2-thiol
IUPAC Name	2,3-dihydro-1H-1,2,4-triazole-3-thione
InChI Key	AFBBKYQYNPNMAT-UHFFFAOYSA-N
Molecular Formula	C2H3N3S

1H-1,2,3-Triazole 98.0+%, TCI America™

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

1H-Benzotriazole-1-methanol 98.0+%, TCI America™

CAS: 28539-02-8 Molecular Formula: C7H7N3O Molecular Weight (g/mol): 149.153 MDL Number: MFCD00179118 InChI Key: MXJIHEXYGRXHGP-UHFFFAOYSA-N Synonym: 1-(Hydroxymethyl)-1H-benzotriazole PubChem CID: 224169 IUPAC Name: benzotriazol-1-ylmethanol SMILES: C1=CC=C2C(=C1)N=NN2CO

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PubChem CID	224169
CAS	28539-02-8
Molecular Weight (g/mol)	149.153
MDL Number	MFCD00179118
SMILES	C1=CC=C2C(=C1)N=NN2CO
Synonym	1-(Hydroxymethyl)-1H-benzotriazole
IUPAC Name	benzotriazol-1-ylmethanol
InChI Key	MXJIHEXYGRXHGP-UHFFFAOYSA-N
Molecular Formula	C7H7N3O

1-Acetyl-1H-1,2,3-triazolo[4,5-b]pyridine 99.0+%, TCI America™

CAS: 107866-54-6 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.152 MDL Number: MFCD00075383 InChI Key: SDYATKOQVBKTLQ-UHFFFAOYSA-N PubChem CID: 702889 IUPAC Name: 1-(triazolo[4,5-b]pyridin-1-yl)ethanone SMILES: CC(=O)N1C2=C(N=CC=C2)N=N1

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PubChem CID	702889
CAS	107866-54-6
Molecular Weight (g/mol)	162.152
MDL Number	MFCD00075383
SMILES	CC(=O)N1C2=C(N=CC=C2)N=N1
IUPAC Name	1-(triazolo[4,5-b]pyridin-1-yl)ethanone
InChI Key	SDYATKOQVBKTLQ-UHFFFAOYSA-N
Molecular Formula	C7H6N4O

4,4'-Di(1,2,3-triazolyl) Disulfide Hydrate 98.0+%, TCI America™

CAS: 6440-09-1 Molecular Formula: C4H4N6S2 Molecular Weight (g/mol): 200.24 InChI Key: NLSOBKJRPPRVSB-UHFFFAOYSA-N Synonym: 4,4′C-Dithiobis(1,2,3-triazole) PubChem CID: 23002801 IUPAC Name: 4-(2H-triazol-4-yldisulfanyl)-2H-triazole SMILES: C1=NNN=C1SSC2=NNN=C2

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PubChem CID	23002801
CAS	6440-09-1
Molecular Weight (g/mol)	200.24
SMILES	C1=NNN=C1SSC2=NNN=C2
Synonym	4,4′C-Dithiobis(1,2,3-triazole)
IUPAC Name	4-(2H-triazol-4-yldisulfanyl)-2H-triazole
InChI Key	NLSOBKJRPPRVSB-UHFFFAOYSA-N
Molecular Formula	C4H4N6S2

5-Benzotriazolecarboxylic Acid 96.0+%, TCI America™

CAS: 23814-12-2 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.136 MDL Number: MFCD00012318 InChI Key: GUOVBFFLXKJFEE-UHFFFAOYSA-N Synonym: 5-Carboxybenzotriazole PubChem CID: 72917 IUPAC Name: 2H-benzotriazole-5-carboxylic acid SMILES: C1=CC2=NNN=C2C=C1C(=O)O

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PubChem CID	72917
CAS	23814-12-2
Molecular Weight (g/mol)	163.136
MDL Number	MFCD00012318
SMILES	C1=CC2=NNN=C2C=C1C(=O)O
Synonym	5-Carboxybenzotriazole
IUPAC Name	2H-benzotriazole-5-carboxylic acid
InChI Key	GUOVBFFLXKJFEE-UHFFFAOYSA-N
Molecular Formula	C7H5N3O2

5-Chlorobenzotriazole 98.0+%, TCI America™

CAS: 94-97-3 Molecular Formula: C6H4ClN3 Molecular Weight (g/mol): 153.57 MDL Number: MFCD00005700 InChI Key: PZBQVZFITSVHAW-UHFFFAOYSA-N Synonym: 5-chlorobenzotriazole,1h-benzotriazole, 5-chloro,6-chlorobenzotriazole,5-chloro-1h-benzotriazole,1h-benzotriazole, 6-chloro,5-chloro-1h-benzo d 1,2,3 triazole,5-chloro-1h-1,2,3-benzotriazole,6-chloro-1h-benzotriazole,unii-8c7o46g78k,5-chlorobenztriazole PubChem CID: 66760 IUPAC Name: 5-chloro-2H-1,2,3-benzotriazole SMILES: ClC1=CC2=NNN=C2C=C1

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PubChem CID	66760
CAS	94-97-3
Molecular Weight (g/mol)	153.57
MDL Number	MFCD00005700
SMILES	ClC1=CC2=NNN=C2C=C1
Synonym	5-chlorobenzotriazole,1h-benzotriazole, 5-chloro,6-chlorobenzotriazole,5-chloro-1h-benzotriazole,1h-benzotriazole, 6-chloro,5-chloro-1h-benzo d 1,2,3 triazole,5-chloro-1h-1,2,3-benzotriazole,6-chloro-1h-benzotriazole,unii-8c7o46g78k,5-chlorobenztriazole
IUPAC Name	5-chloro-2H-1,2,3-benzotriazole
InChI Key	PZBQVZFITSVHAW-UHFFFAOYSA-N
Molecular Formula	C6H4ClN3

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