Basic information
- CAS
503825-01-2- Standard SMILES
COC(=O)c1cc(-c2ccccc2)nn(CC(C)C)c1=O- InChIKey
LZOOHFYZYUOLLO-UHFFFAOYSA-N- Molecular formula
- C16H18N2O3
- Average molar mass
- 286.33 g/mol
- Monoisotopic mass
- 286.13174244
Names & identifiers
- Preferred name
- 2-isobutyl-4-methoxycarbonyl-6-phenyl-2H-pyridazin-3-one
- IUPAC
- methyl 2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carboxylate
Names & synonyms
SCHEMBL1925329LZOOHFYZYUOLLO-UHFFFAOYSA-NDTXSID7011407132-isobutyl-4-methoxycarbonyl-6-phenyl-2H-pyridazin-3-on e2-isobutyl-4-methoxycarbonyl-6-phenyl-2H-pyridazin-3-oneMethyl 2,3-dihydro-2-(2-methylpropyl)-3-oxo-6-phenyl-4-pyridazinecarboxylateMethyl 2-(2-methylpropyl)-3-oxo-6-phenyl-2,3-dihydropyridazine-4-carboxylate503825-01-2
Database identifiers
- CAS
503825-01-2- PubChem CID
- 21991612
- DTXSID
DTXSID701140713
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 474
Related reactions
2 records
Compound notes
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