Basic information
- Standard SMILES
CC(C)Cn1nc(-c2ccc(F)cc2F)cc(CN)c1=O- InChIKey
SAALXWIMMKLLIF-UHFFFAOYSA-N- Molecular formula
- C15H17F2N3O
- Average molar mass
- 293.31 g/mol
- Monoisotopic mass
- 293.1339685
Names & identifiers
- Preferred name
- 4-aminomethyl-6-(2,4-difluorophenyl)-2-isobutyl-2H-pyridazin-3-one
- IUPAC
- 4-(aminomethyl)-6-(2,4-difluorophenyl)-2-(2-methylpropyl)pyridazin-3-one
Names & synonyms
SCHEMBL1927220SAALXWIMMKLLIF-UHFFFAOYSA-N4-aminomethyl-6-(2,4-difluorophenyl)-2-isobutyl-2H-pyri dazin-3-one4-aminomethyl-6-(2,4-difluorophenyl)-2-isobutyl-2H-pyridazin-3-one
Database identifiers
- PubChem CID
- 21991522
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 462
Related reactions
2 records
Compound notes
Loading…