N-(2-ethoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-amine

• ChemBase ID: 699150
• Molecular Formular: C15H19N3O2
• Molecular Mass: 273.33026
• Monoisotopic Mass: 273.14772686
• SMILES: n1nc(NCCOCC)ccc1c1c(OC)cccc1
• Canonical SMILES: CCOCCNc1ccc(nn1)c1ccccc1OC
• InChI: InChI=1S/C15H19N3O2/c1-3-20-11-10-16-15-9-8-13(17-18-15)12-6-4-5-7-14(12)19-2/h4-9H,3,10-11H2,1-2H3,(H,16,18)
• InChIKey: GCJMHIWRRBMMGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-amine
• IUPAC Traditional name: N-(2-ethoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-amine
• Synonyms: N-(2-ethoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.66829
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.0238981
• LogD (pH = 7.4): 2.0282207
• Log P: 2.028276
• Molar Refractivity: 81.2912 cm^3
• Polarizability: 31.21638 Å^3
• Polar Surface Area: 56.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.71
• LOG S: -2.65
• Polar Surface Area: 56.27 Å^2
• Rotatable Bonds: 7