N,N-dimethyl-6-({1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yl}oxy)pyridazin-3-amine

• ChemBase ID: 404362
• Molecular Formular: C19H27N5O
• Molecular Mass: 341.45058
• Monoisotopic Mass: 341.22156051
• SMILES: n1nc(OC(CN(Cc2cnccc2)C)CCC=C)ccc1N(C)C
• Canonical SMILES: C=CCCC(Oc1ccc(nn1)N(C)C)CN(Cc1cccnc1)C
• InChI: InChI=1S/C19H27N5O/c1-5-6-9-17(15-24(4)14-16-8-7-12-20-13-16)25-19-11-10-18(21-22-19)23(2)3/h5,7-8,10-13,17H,1,6,9,14-15H2,2-4H3
• InChIKey: PDTOYLLUCRVOMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-6-({1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yl}oxy)pyridazin-3-amine
• IUPAC Traditional name: N,N-dimethyl-6-({1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yl}oxy)pyridazin-3-amine
• Synonyms: N,N-dimethyl-6-[(1-{[methyl(pyridin-3-ylmethyl)amino]methyl}pent-4-en-1-yl)oxy]pyridazin-3-amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 0
• Log P: 2.25
• LOG S: -1.3
• Polar Surface Area: 54.38 Å^2
• Rotatable Bonds: 10
• H Acceptors: 5

JChem

• LogD (pH = 5.5): 0.21039283
• LogD (pH = 7.4): 1.9805189
• Log P: 2.964783
• Molar Refractivity: 103.9469 cm^3
• Polarizability: 38.759743 Å^3
• Polar Surface Area: 54.38 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true
• H Acceptors: 6
• H Donor: 0