Basic information
- Standard SMILES
O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2c(Br)c(-c3ccc(Cl)cc3)ncn12- InChIKey
GTZCXMHQCSSQLD-UHFFFAOYSA-N- Molecular formula
- C18H10BrClF3N5O
- Average molar mass
- 484.7 g/mol
Names & identifiers
- Preferred name
- 8-bromo-7-(4-chlorophenyl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
- IUPAC
- 8-bromo-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
Names & synonyms
8-bromo-7-(4-chlorophenyl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-oneSCHEMBL4836917
Database identifiers
- PubChem CID
- 58772848
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 763
Related reactions
6 records
Compound notes
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