Basic information
- Standard SMILES
COc1cncc(-c2cn(-c3cc(C(=O)O)ccc3C)nn2)c1- InChIKey
JRALZJHPMXUGRK-UHFFFAOYSA-N- Molecular formula
- C16H14N4O3
- Average molar mass
- 310.31 g/mol
Names & identifiers
- Preferred name
- 3-[4-(5-Methoxy-pyridin-3-yl)-[1,2,3]triazol-1-yl]-4-methyl-benzoic acid
- IUPAC
- 3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzoic acid
Names & synonyms
SCHEMBL4036488JRALZJHPMXUGRK-UHFFFAOYSA-N3-[4-(5-Methoxy-pyridin-3-yl)-[1,2,3]triazol-1-yl]-4-methyl-benzoic acid
Database identifiers
- PubChem CID
- 21097291
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 422
Related reactions
5 records
Compound notes
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