Basic information
- Standard SMILES
Cc1nc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cn2)n1- InChIKey
WXWWTPOEXOKDKN-UHFFFAOYSA-N- Molecular formula
- C14H13N5O2S
- Average molar mass
- 315.35 g/mol
- Monoisotopic mass
- 315.07899585
Names & identifiers
- Preferred name
- 6-(3-Methyl-5-phenyl-[1,2,4]triazole-1-yl)-pyridine-3-sulfonic acid amide
- IUPAC
- 6-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)pyridine-3-sulfonamide
Names & synonyms
SCHEMBL5202904WXWWTPOEXOKDKN-UHFFFAOYSA-N6-(3-methyl-5-phenyl-[1,2,4]triazole-1-yl)-pyridine-3-sulfonic acid amide
Database identifiers
- PubChem CID
- 9839879
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 474
Related reactions
2 records
Compound notes
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