5-(dimethylamino)-2-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-2,3-dihydropyridazin-3-one

• ChemBase ID: 578538
• Molecular Formular: C15H17N5O
• Molecular Mass: 283.32838
• Monoisotopic Mass: 283.14331019
• SMILES: c1(nc2c(n1C)cccc2)Cn1c(=O)cc(cn1)N(C)C
• Canonical SMILES: CN(c1cnn(c(=O)c1)Cc1nc2c(n1C)cccc2)C
• InChI: InChI=1S/C15H17N5O/c1-18(2)11-8-15(21)20(16-9-11)10-14-17-12-6-4-5-7-13(12)19(14)3/h4-9H,10H2,1-3H3
• InChIKey: UIIWKMQZLMRQKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(dimethylamino)-2-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 5-(dimethylamino)-2-[(1-methyl-1,3-benzodiazol-2-yl)methyl]pyridazin-3-one
• Synonyms: 5-(dimethylamino)-2-[(1-methyl-1H-benzimidazol-2-yl)methyl]pyridazin-3(2H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.43119663
• LogD (pH = 7.4): 0.8981549
• Log P: 0.90990025
• Molar Refractivity: 82.2986 cm^3
• Polarizability: 31.393742 Å^3
• Polar Surface Area: 53.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.5
• LOG S: -2.55
• Polar Surface Area: 55.95 Å^2
• Rotatable Bonds: 3