Basic information
- Standard SMILES
CSc1nc2nc(C)cc(Nc3ccc(C(F)(F)F)c(F)c3)n2n1- InChIKey
BFGXYULLGAEYNG-UHFFFAOYSA-N- Molecular formula
- C14H11F4N5S
- Average molar mass
- 357.33 g/mol
- Monoisotopic mass
- 357.06712919
Names & identifiers
- Preferred name
- N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
- IUPAC
- N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Names & synonyms
N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidin-7-amineSCHEMBL1681766N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(methylthio) [1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Database identifiers
- PubChem CID
- 67119856
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 440
Related reactions
1 records
Compound notes
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