4-Phenyl-1-{[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-7-yl]methyl}pyrrolidin-2-one
Basic information
- Standard SMILES
O=C1CC(c2ccccc2)CN1Cc1cnn2c(C(F)(F)F)nnc2c1- InChIKey
ACEDIMJFAMCSBG-UHFFFAOYSA-N- Molecular formula
- C17H14F3N5O
- Average molar mass
- 361.32 g/mol
Names & identifiers
- Preferred name
- 4-Phenyl-1-{[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-7-yl]methyl}pyrrolidin-2-one
- IUPAC
- 4-phenyl-1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]methyl]pyrrolidin-2-one
Names & synonyms
4-phenyl-1-{[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-7-yl]methyl}pyrrolidin-2-oneSCHEMBL2332074
Database identifiers
- PubChem CID
- 57743060
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 525
Related reactions
4 records
Compound notes
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