Triazoles

Alfa Aesar™ 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 PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1

1H-1,2,3-Triazole, 98%, Alfa Aesar™

CAS: 288-36-8 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.067 MDL Number: MFCD00014490 InChI Key: QWENRTYMTSOGBR-UHFFFAOYSA-N Synonym: 1,2,3 triazole PubChem CID: 67516 ChEBI: CHEBI:35565 IUPAC Name: 2H-triazole SMILES: C1=NNN=C1

8-Azahypoxanthine, 98%, ACROS Organics™

CAS: 2683-90-1 Molecular Formula: C4H3N5O Molecular Weight (g/mol): 137.1 MDL Number: MFCD00005804 InChI Key: OEEYCNOOAHGFHL-UHFFFAOYSA-N Synonym: 1h-1,2,3-triazolo 4,5-d pyrimidin-7-ol PubChem CID: 75895 IUPAC Name: 2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one SMILES: C1=NC(=O)C2=NNNC2=N1

PYBOP™, 99%, ACROS Organics™

CAS: 128625-52-5 Molecular Formula: C18H28F6N6OP2 Molecular Weight (g/mol): 520.39 MDL Number: MFCD00077411 InChI Key: VIAFLMPQBHAMLI-UHFFFAOYSA-N Synonym: 1h-benzo d 1,2,3 triazol-1-yl oxy tri pyrrolidin-1-yl phosphonium hexafluorophosphate v 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

1,2,3-1H-Triazole, 97%, ACROS Organics™

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

Alfa Aesar™ 3,5-Diamino-1,2,4-triazole, 98+%

CAS: 1455-77-2 Molecular Formula: C2H5N5 Molecular Weight (g/mol): 99.097 MDL Number: MFCD00005233 InChI Key: PKWIYNIDEDLDCJ-UHFFFAOYSA-N Synonym: 1,2,4-triazolidine, 3,5-diimino PubChem CID: 15078 ChEBI: CHEBI:75425 IUPAC Name: 1H-1,2,4-triazole-3,5-diamine SMILES: C1(=NC(=NN1)N)N

Alfa Aesar™ 3-Amino-1,2,4-triazole-5-carboxylic acid hydrate, 98%

CAS: 304655-78-5 Molecular Formula: C3H6N4O3 Molecular Weight (g/mol): 146.106 MDL Number: MFCD06795815 InChI Key: AGJCUQSNRFXRDU-UHFFFAOYSA-N Synonym: 1h-1,2,4-triazole-3-carboxylicacid, 5-amino-, hydrate 1:1 PubChem CID: 16211818 IUPAC Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid;hydrate SMILES: C1(=NC(=NN1)N)C(=O)O.O

Alfa Aesar™ Nefazodone hydrochloride, 98+%

CAS: 82752-99-6 Molecular Formula: C25H33Cl2N5O2 Molecular Weight (g/mol): 506.472 MDL Number: MFCD00935760 InChI Key: DYCKFEBIOUQECE-UHFFFAOYSA-N Synonym: 1-3-4-3-chlorophenyl piperazin-1-yl propyl-3-ethyl-4-2-phenoxyethyl-1h-1,2,4-triazol-5 4h-one hydrochloride PubChem CID: 54911 ChEBI: CHEBI:7495 IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one;hydrochloride SMILES: CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl.Cl

Alfa Aesar™ CGS 15943, 99+%

CAS: 104615-18-1 Molecular Formula: C13H8ClN5O Molecular Weight (g/mol): 285.691 MDL Number: MFCD01529897 InChI Key: MSJODEOZODDVGW-UHFFFAOYSA-N Synonym: 1,2,4 triazolo 1,5-c quinazolin-5-amine, 9-chloro-2-2-furanyl PubChem CID: 2690 IUPAC Name: 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine SMILES: C1=COC(=C1)C2=NN3C(=N2)C4=C(C=CC(=C4)Cl)N=C3N

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: 1,2,3-benzotriazol-1-amine PubChem CID: 1367 IUPAC Name: benzotriazol-1-amine SMILES: C1=CC=C2C(=C1)N=NN2N

Alfa Aesar™ 3-Nitro-1,2,4-triazole, 96%

CAS: 24807-55-4 Molecular Formula: C2H2N4O2 Molecular Weight (g/mol): 114.064 MDL Number: MFCD00009749 InChI Key: KUEFXPHXHHANKS-UHFFFAOYSA-N Synonym: 1h-1,2,4-triazole, 3-nitro PubChem CID: 90614 IUPAC Name: 5-nitro-1H-1,2,4-triazole SMILES: C1=NNC(=N1)[N+](=O)[O-]

ZM 241385, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 139180-30-6 Molecular Formula: C16H15N7O2 Molecular Weight (g/mol): 337.343 InChI Key: PWTBZOIUWZOPFT-UHFFFAOYSA-N Synonym: 3eml PubChem CID: 176407 IUPAC Name: 4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol SMILES: C1=COC(=C1)C2=NN3C(=NC(=NC3=N2)NCCC4=CC=C(C=C4)O)N

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

CAS: 61-82-5 Molecular Formula: C2H4N4 Molecular Weight (g/mol): 84.082 MDL Number: MFCD00005230 InChI Key: KLSJWNVTNUYHDU-UHFFFAOYSA-N Synonym: 1h-1,2,4-triazol-3-amine PubChem CID: 1639 ChEBI: CHEBI:40036 IUPAC Name: 1H-1,2,4-triazol-5-amine SMILES: C1=NNC(=N1)N

Alfa Aesar™ 4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole, 99+%

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

1H-Benzotriazole, 99%, ACROS Organics™

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

Alfa Aesar™ Methyl 1,2,4-triazole-3-carboxylate, 98%

CAS: 4928-88-5 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.103 MDL Number: MFCD00135989 InChI Key: QMPFMODFBNEYJH-UHFFFAOYSA-N Synonym: 1,2,4-triazole-3-carboxylic acid methylester PubChem CID: 2735089 IUPAC Name: methyl 1H-1,2,4-triazole-5-carboxylate SMILES: COC(=O)C1=NC=NN1

Methyl 1,2,4-triazole-3-carboxylate, 98%, Acros Organics™

CAS: 4928-88-5 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.1 InChI Key: QMPFMODFBNEYJH-UHFFFAOYSA-N Synonym: 1,2,4-triazole-3-carboxylic acid methylester PubChem CID: 2735089 IUPAC Name: methyl 1H-1,2,4-triazole-5-carboxylate SMILES: COC(=O)C1=NC=NN1

1-Aminobenzotriazole, 98%, ACROS Organics™

CAS: 1614-12-6 Molecular Formula: C6H6N4 Molecular Weight (g/mol): 134.14 MDL Number: MFCD00132902 InChI Key: JCXKHYLLVKZPKE-UHFFFAOYSA-N Synonym: 1,2,3-benzotriazol-1-amine PubChem CID: 1367 IUPAC Name: benzotriazol-1-amine SMILES: C1=CC=C2C(=C1)N=NN2N

1H-Benzotriazol-1-yloxytris(dimethylamino)phosphonium Hexafluorophosphate 98.0+%, TCI America™

CAS: 56602-33-6 Molecular Formula: C12H22F6N6OP2 Molecular Weight (g/mol): 442.287 MDL Number: MFCD00011948 InChI Key: MGEVGECQZUIPSV-UHFFFAOYSA-N Synonym: 1h-benzo d 1,2,3 triazol-1-yl oxy tris dimethylamino phosphonium hexafluorophosphate v PubChem CID: 151348 IUPAC Name: benzotriazol-1-yloxy-tris(dimethylamino)phosphanium;hexafluorophosphate SMILES: CN(C)[P+](N(C)C)(N(C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F

Ro 64-5229, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 246852-46-0 Molecular Formula: C17H19Cl2N3O Molecular Weight (g/mol): 352.259 InChI Key: STCVFKBRXOEQRF-YBEGLDIGSA-N Synonym: 1-2-cycloheptyloxy-2-2,6-dichloro-phenyl-vinyl-1h-1,2,4 triazole ro 64-5229 PubChem CID: 10428048 IUPAC Name: 1-[(Z)-2-cycloheptyloxy-2-(2,6-dichlorophenyl)ethenyl]-1,2,4-triazole SMILES: C1CCCC(CC1)OC(=CN2C=NC=N2)C3=C(C=CC=C3Cl)Cl

Alfa Aesar™ 5-Amino-1H-benzotriazole, 98%

CAS: 3325-11-9 Molecular Formula: C6H6N4 Molecular Weight (g/mol): 134.14 MDL Number: MFCD00047209 InChI Key: XSFHICWNEBCMNN-UHFFFAOYSA-N Synonym: 1h-1,2,3-benzotriazol-5-amine PubChem CID: 76844 IUPAC Name: 2H-benzotriazol-5-amine SMILES: C1=CC2=NNN=C2C=C1N

1,2,4-1H-Triazole, 99.5%, ACROS Organics™

CAS: 288-88-0 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.06 MDL Number: MFCD00005228 InChI Key: NSPMIYGKQJPBQR-UHFFFAOYSA-N Synonym: 1,2,4 triazole PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1

Alfa Aesar™ 1-Chloromethyl-1H-1,2,4-triazole hydrochloride, 96%

CAS: 84387-62-2 Molecular Formula: C3H4ClN3 Molecular Weight (g/mol): 117.536 MDL Number: MFCD00964947 InChI Key: PXNMFQMREJNQQT-UHFFFAOYSA-N Synonym: 1-chloro-methyl-1h-1,2,4-triazole PubChem CID: 3743882 IUPAC Name: 1-(chloromethyl)-1,2,4-triazole SMILES: C1=NN(C=N1)CCl

5-Methyl-1H-benzotriazole, 98%, ACROS Organics™

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

Alfa Aesar™ 4-Amino-1,2,4-triazole, 99%

CAS: 584-13-4 Molecular Formula: C2H4N4 Molecular Weight (g/mol): 84.082 MDL Number: MFCD00003099 InChI Key: FMCUPJKTGNBGEC-UHFFFAOYSA-N Synonym: 1-amino-1,3,4-triazole PubChem CID: 11432 IUPAC Name: 1,2,4-triazol-4-amine SMILES: C1=NN=CN1N

1,2,4-Triazole 99.0+%, TCI America™

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 PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1

SCH 442416, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 316173-57-6 Molecular Formula: C20H19N7O2 Molecular Weight (g/mol): 389.419 InChI Key: AEULVFLPCJOBCE-UHFFFAOYSA-N Synonym: 2-2-furanyl-7-3-4-methoxyphenyl propyl-7h-pyrazolo 4,3-e 1,2,4 triazolo 1,5-c pyrimidin-5-amine PubChem CID: 10668061 SMILES: COC1=CC=C(C=C1)CCCN2C3=C(C=N2)C4=NC(=NN4C(=N3)N)C5=CC=CO5

1H-Benzotriazole, 99%, Alfa Aesar™

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

Methyl 1,2,4-Triazole-3-carboxylate 98.0+%, TCI America™

CAS: 4928-88-5 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.103 MDL Number: MFCD00135989 InChI Key: QMPFMODFBNEYJH-UHFFFAOYSA-N Synonym: 1,2,4-triazole-3-carboxylic acid methylester PubChem CID: 2735089 IUPAC Name: methyl 1H-1,2,4-triazole-5-carboxylate SMILES: COC(=O)C1=NC=NN1

Urazole 98.0+%, TCI America™

CAS: 3232-84-6 Molecular Formula: C2H3N3O2 Molecular Weight (g/mol): 101.065 MDL Number: MFCD00005225 InChI Key: UDATXMIGEVPXTR-UHFFFAOYSA-N Synonym: 1h-1,2,4-triazole-3,5 2h,4h-dione PubChem CID: 72916 IUPAC Name: 1,2,4-triazolidine-3,5-dione SMILES: C1(=O)NC(=O)NN1

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