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Basic information
- Standard SMILES
COc1ccc(-c2ccn3c(=O)n(CC(C)C)nc3c2-c2ccc(C)cc2)cn1- InChIKey
GORXTQSPDOAVSZ-UHFFFAOYSA-N- Molecular formula
- C23H24N4O2
- Average molar mass
- 388.5 g/mol
Names & identifiers
- Preferred name
- 2-isobutyl-7-(6-methoxypyridin-3-yl)-8-p-tolyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
- IUPAC
- 7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
Names & synonyms
SCHEMBL4478350GORXTQSPDOAVSZ-UHFFFAOYSA-N2-isobutyl-7-(6-methoxypyridin-3-yl)-8-p-tolyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Database identifiers
- PubChem CID
- 57799385
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 718
Related reactions
2 records
Compound notes
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