5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methyl-2,3-dihydropyridazin-3-one

• ChemBase ID: 524790
• Molecular Formular: C15H24N4O
• Molecular Mass: 276.37726
• Monoisotopic Mass: 276.19501141
• SMILES: c1c(=O)n(ncc1N1CCN(CC2CCCC2)CC1)C
• Canonical SMILES: Cn1ncc(cc1=O)N1CCN(CC1)CC1CCCC1
• InChI: InChI=1S/C15H24N4O/c1-17-15(20)10-14(11-16-17)19-8-6-18(7-9-19)12-13-4-2-3-5-13/h10-11,13H,2-9,12H2,1H3
• InChIKey: MHXGUQVNNQBZRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methyl-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3-one
• Synonyms: 5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3(2H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.0834808
• LogD (pH = 7.4): -0.4916732
• Log P: 1.1191607
• Molar Refractivity: 81.7459 cm^3
• Polarizability: 30.528193 Å^3
• Polar Surface Area: 39.15 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: 1.61
• LOG S: -2.59
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 3