N-[1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-methylpyridazin-3-amine

• ChemBase ID: 530731
• Molecular Formular: C14H21N5
• Molecular Mass: 259.35004
• Monoisotopic Mass: 259.1796957
• SMILES: c1(c(nn(c1C)CC)C)C(Nc1nnc(cc1)C)C
• Canonical SMILES: CCn1nc(c(c1C)C(Nc1ccc(nn1)C)C)C
• InChI: InChI=1S/C14H21N5/c1-6-19-12(5)14(11(4)18-19)10(3)15-13-8-7-9(2)16-17-13/h7-8,10H,6H2,1-5H3,(H,15,17)
• InChIKey: RCECAKSHLOVFDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-methylpyridazin-3-amine
• IUPAC Traditional name: N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-methylpyridazin-3-amine
• Synonyms: N-[1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-methyl-3-pyridazinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.325247
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1991781
• LogD (pH = 7.4): 1.2306423
• Log P: 1.2310569
• Molar Refractivity: 91.2878 cm^3
• Polarizability: 28.654446 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.56
• LOG S: -2.43
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4