Basic information
- Standard SMILES
CSc1nc(NCC(F)(F)F)c2ncc(C#N)n2n1- InChIKey
LMAMNECIRLQOGA-UHFFFAOYSA-N- Molecular formula
- C9H7F3N6S
- Average molar mass
- 288.26 g/mol
Names & identifiers
- Preferred name
- 2-(Methylthio)-4-((2,2,2-trifluoroethyl)amino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
- IUPAC
- 2-methylsulfanyl-4-(2,2,2-trifluoroethylamino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
Names & synonyms
2-(methylthio)-4-((2,2,2-trifluoroethyl)amino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrileSCHEMBL15410074
Database identifiers
- PubChem CID
- 86708459
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 369
Related reactions
2 records
Compound notes
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