2-(6-chloropyridazin-3-yl)-8-methyl-2,8-diazaspiro[4.5]decane

• ChemBase ID: 673629
• Molecular Formular: C13H19ClN4
• Molecular Mass: 266.76976
• Monoisotopic Mass: 266.12982431
• SMILES: N1(c2nnc(cc2)Cl)CC2(CC1)CCN(CC2)C
• Canonical SMILES: CN1CCC2(CC1)CCN(C2)c1ccc(nn1)Cl
• InChI: InChI=1S/C13H19ClN4/c1-17-7-4-13(5-8-17)6-9-18(10-13)12-3-2-11(14)15-16-12/h2-3H,4-10H2,1H3
• InChIKey: ZBVCVGHKTWUFPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-chloropyridazin-3-yl)-8-methyl-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(6-chloropyridazin-3-yl)-8-methyl-2,8-diazaspiro[4.5]decane
• Synonyms: 2-(6-chloropyridazin-3-yl)-8-methyl-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7752712
• LogD (pH = 7.4): -0.95931834
• Log P: 1.6944015
• Molar Refractivity: 77.3082 cm^3
• Polarizability: 28.269493 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.69
• LOG S: -1.58
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1