4,5-Bis(4-methylphenyl)pyridazin-3(2H)-one
Basic information
- CAS
591769-89-0- Standard SMILES
Cc1ccc(-c2cn[nH]c(=O)c2-c2ccc(C)cc2)cc1- InChIKey
ZLNBABTUQXSMPY-UHFFFAOYSA-N- Molecular formula
- C18H16N2O
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.12626314
Names & identifiers
- Preferred name
- 4,5-Bis(4-methylphenyl)pyridazin-3(2H)-one
- IUPAC
- 4,5-bis(4-methylphenyl)-1H-pyridazin-6-one
Names & synonyms
591769-89-04,5-Bis(4-methylphenyl)pyridazin-3(2H)-oneDTXSID70787210
Database identifiers
- CAS
591769-89-0- PubChem CID
- 71363698
- DTXSID
DTXSID70787210- Nikkaji
- J1.905.773I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 450
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Compound notes
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