4-Methyl-3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)-benzoic acid

HCID 21097331
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Basic information

Standard SMILES
Cc1ccc(C(=O)O)cc1-n1cc(-c2cccnc2)nn1
InChIKey
OVMHGEYLASTWJL-UHFFFAOYSA-N
Molecular formula
C15H12N4O2
Average molar mass
280.28 g/mol
Monoisotopic mass
280.09602564

Names & identifiers

Preferred name
4-Methyl-3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)-benzoic acid
IUPAC
4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzoic acid

Names & synonyms

SCHEMBL4032187OVMHGEYLASTWJL-UHFFFAOYSA-N1096697-97-0DB-1180644-Methyl-3-(4-pyridin-3-yl-[1,2,3]triazol-1-yl)-benzoic acid4-Methyl-3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)-benzoic acid

Database identifiers

PubChem CID
21097331

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
80.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

Related reactions

9 records
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Compound notes

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