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Basic information
- Standard SMILES
COCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)ccn2c1=O- InChIKey
XAZYGXQJAVZNJK-UHFFFAOYSA-N- Molecular formula
- C19H15ClN4O2
- Average molar mass
- 366.8 g/mol
- Monoisotopic mass
- 366.0883534
Names & identifiers
- Preferred name
- 8-(4-chlorophenyl)-2-(methoxymethyl)-7-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
- IUPAC
- 8-(4-chlorophenyl)-2-(methoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
Names & synonyms
SCHEMBL4477797XAZYGXQJAVZNJK-UHFFFAOYSA-N8-(4-chlorophenyl)-2-(methoxymethyl)-7-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Database identifiers
- PubChem CID
- 57799418
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 646
Related reactions
2 records
Compound notes
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