2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(piperidin-1-yl)-2,3-dihydropyridazin-3-one

• ChemBase ID: 408534
• Molecular Formular: C15H19N5O2
• Molecular Mass: 301.34366
• Monoisotopic Mass: 301.15387487
• SMILES: n1(c(=O)cc(cn1)N1CCCCC1)Cc1oc(nn1)C1CC1
• Canonical SMILES: O=c1cc(cnn1Cc1nnc(o1)C1CC1)N1CCCCC1
• InChI: InChI=1S/C15H19N5O2/c21-14-8-12(19-6-2-1-3-7-19)9-16-20(14)10-13-17-18-15(22-13)11-4-5-11/h8-9,11H,1-7,10H2
• InChIKey: WVVKAQCIWVRCEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(piperidin-1-yl)-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(piperidin-1-yl)pyridazin-3-one
• Synonyms: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-piperidin-1-ylpyridazin-3(2H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.13463259
• LogD (pH = 7.4): 0.1346328
• Log P: 0.1346328
• Molar Refractivity: 83.3989 cm^3
• Polarizability: 30.011412 Å^3
• Polar Surface Area: 74.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.03
• LOG S: -2.73
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 4