Basic information
- Standard SMILES
Cc1ccc(-c2cc(CO)c(=O)n(CC(C)C)n2)cc1- InChIKey
SMNAPQVSVCBETC-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2
- Average molar mass
- 272.34 g/mol
Names & identifiers
- Preferred name
- 4-hydroxymethyl-2-isobutyl-6-(4-methyl-phenyl)-2H-pyridazin-3-one
- IUPAC
- 4-(hydroxymethyl)-6-(4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
Names & synonyms
SCHEMBL1925214SMNAPQVSVCBETC-UHFFFAOYSA-N4-hydroxymethyl-2-isobutyl-6-(4-methyl-phenyl)-2H-pyridazin-3-one4-hydroxymethyl-2-isobutyl-6-(4-methyl-phenyl)-2H-pyrid azin-3-one
Database identifiers
- PubChem CID
- 21991644
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 418
Related reactions
2 records
Compound notes
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