8-chloro-7-p-tolyl-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
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Basic information
- Standard SMILES
Cc1ccc(-c2ccn3c(=O)n(Cc4ccc(C(F)(F)F)nc4)nc3c2Cl)cc1- InChIKey
QMUASIXJHFWEQP-UHFFFAOYSA-N- Molecular formula
- C20H14ClF3N4O
- Average molar mass
- 418.8 g/mol
- Monoisotopic mass
- 418.0808233
Names & identifiers
- Preferred name
- 8-chloro-7-p-tolyl-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
- IUPAC
- 8-chloro-7-(4-methylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Names & synonyms
8-chloro-7-p-tolyl-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneSCHEMBL4491828
Database identifiers
- PubChem CID
- 57799365
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 48.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 755
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Related reactions
4 records
Compound notes
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