Basic information
- Standard SMILES
CC(C)Cn1nc(-c2ccc(C(F)(F)F)cc2)cc(CO)c1=O- InChIKey
GIDPCHBUKRLPCE-UHFFFAOYSA-N- Molecular formula
- C16H17F3N2O2
- Average molar mass
- 326.31 g/mol
Names & identifiers
- Preferred name
- 4-hydroxymethyl-2-isobutyl-6-(4-trifluoromethylphenyl)-2H-pyridazin-3-one
- IUPAC
- 4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one
Names & synonyms
4-hydroxymethyl-2-isobutyl-6-(4-trifluoromethylphenyl)-2H-pyridazin-3-oneSCHEMBL1925738
Database identifiers
- PubChem CID
- 67213625
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 504
Related reactions
2 records
Compound notes
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