6-[4-(2-methoxyethoxy)phenyl]-N,N-dimethylpyridazin-3-amine

• ChemBase ID: 568569
• Molecular Formular: C15H19N3O2
• Molecular Mass: 273.33026
• Monoisotopic Mass: 273.14772686
• SMILES: n1nc(c2ccc(cc2)OCCOC)ccc1N(C)C
• Canonical SMILES: COCCOc1ccc(cc1)c1ccc(nn1)N(C)C
• InChI: InChI=1S/C15H19N3O2/c1-18(2)15-9-8-14(16-17-15)12-4-6-13(7-5-12)20-11-10-19-3/h4-9H,10-11H2,1-3H3
• InChIKey: RKUOVJPWQLPIRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[4-(2-methoxyethoxy)phenyl]-N,N-dimethylpyridazin-3-amine
• IUPAC Traditional name: 6-[4-(2-methoxyethoxy)phenyl]-N,N-dimethylpyridazin-3-amine
• Synonyms: 6-[4-(2-methoxyethoxy)phenyl]-N,N-dimethylpyridazin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2991936
• LogD (pH = 7.4): 2.306638
• Log P: 2.3067338
• Molar Refractivity: 80.7774 cm^3
• Polarizability: 31.209377 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.68
• LOG S: -2.63
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 6