6-methyl-2-phenyl-2,3-dihydropyridazin-3-one

• ChemBase ID: 110750
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: Cc1nn(c(=O)cc1)c1ccccc1
• Canonical SMILES: Cc1ccc(=O)n(n1)c1ccccc1
• InChI: InChI=1S/C11H10N2O/c1-9-7-8-11(14)13(12-9)10-5-3-2-4-6-10/h2-8H,1H3
• InChIKey: HAOIDJNHHQPEGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-phenyl-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 6-methyl-2-phenylpyridazin-3-one
• Synonyms: 6-METHYL-2-PHENYL-3-PYRIDAZINONE

Database IDs

• PubChem SID: 162106449
• PubChem CID: 459137

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5847368
• LogD (pH = 7.4): 1.584737
• Log P: 1.584737
• Molar Refractivity: 55.1117 cm^3
• Polarizability: 20.478819 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05216188

MP Biomedicals Rare Chemical collection