3-methyl-6-[4-(pyridin-4-yl)piperidin-1-yl]pyridazine

• ChemBase ID: 585874
• Molecular Formular: C15H18N4
• Molecular Mass: 254.33022
• Monoisotopic Mass: 254.1531466
• SMILES: N1(c2nnc(cc2)C)CCC(CC1)c1ccncc1
• Canonical SMILES: Cc1ccc(nn1)N1CCC(CC1)c1ccncc1
• InChI: InChI=1S/C15H18N4/c1-12-2-3-15(18-17-12)19-10-6-14(7-11-19)13-4-8-16-9-5-13/h2-5,8-9,14H,6-7,10-11H2,1H3
• InChIKey: HSOXBRVFGROGKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-6-[4-(pyridin-4-yl)piperidin-1-yl]pyridazine
• IUPAC Traditional name: 3-methyl-6-[4-(pyridin-4-yl)piperidin-1-yl]pyridazine
• Synonyms: 3-methyl-6-[4-(4-pyridinyl)-1-piperidinyl]pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.341246
• LogD (pH = 7.4): 1.6570212
• Log P: 1.6631918
• Molar Refractivity: 77.7267 cm^3
• Polarizability: 28.54274 Å^3
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.38
• LOG S: -0.93
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 2