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

• ChemBase ID: 125015
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: n1n(c(=O)ccc1OC)C
• Canonical SMILES: COc1ccc(=O)n(n1)C
• InChI: InChI=1S/C6H8N2O2/c1-8-6(9)4-3-5(7-8)10-2/h3-4H,1-2H3
• InChIKey: JIPJFJUUKIUJRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-methyl-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 6-methoxy-2-methylpyridazin-3-one
• Synonyms: 6-methoxy-2-methylpyridazin-3(2H)-one

Database IDs

• PubChem SID: 162219368
• PubChem CID: 96429

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.057853017
• LogD (pH = 7.4): -0.057853017
• Log P: -0.057853017
• Molar Refractivity: 36.821 cm^3
• Polarizability: 13.494054 Å^3
• Polar Surface Area: 41.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true