3,4-Dimethyl-5-(4-pyridin-3-yl-[1,2,3]triazol-1-yl)-benzoic acid

HCID 21097296
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Basic information

Standard SMILES
Cc1cc(C(=O)O)cc(-n2cc(-c3cccnc3)nn2)c1C
InChIKey
UUYNULYBJSBUQE-UHFFFAOYSA-N
Molecular formula
C16H14N4O2
Average molar mass
294.31 g/mol

Names & identifiers

Preferred name
3,4-Dimethyl-5-(4-pyridin-3-yl-[1,2,3]triazol-1-yl)-benzoic acid
IUPAC
3,4-dimethyl-5-(4-pyridin-3-yltriazol-1-yl)benzoic acid

Names & synonyms

SCHEMBL4037031UUYNULYBJSBUQE-UHFFFAOYSA-N3,4-dimethyl-5-(4-pyridin-3-yl-[1,2,3]triazol-1-yl)-benzoic acid

Database identifiers

PubChem CID
21097296

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
80.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
22

Related reactions

7 records
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Compound notes

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