3-[3-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyridazine

• ChemBase ID: 477351
• Molecular Formular: C15H21N5
• Molecular Mass: 271.36074
• Monoisotopic Mass: 271.1796957
• SMILES: c1(C2CN(c3nnc(cc3)C)CCC2)n(ccn1)CC
• Canonical SMILES: CCn1ccnc1C1CCCN(C1)c1ccc(nn1)C
• InChI: InChI=1S/C15H21N5/c1-3-19-10-8-16-15(19)13-5-4-9-20(11-13)14-7-6-12(2)17-18-14/h6-8,10,13H,3-5,9,11H2,1-2H3
• InChIKey: KFRAQOCZRSYWDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyridazine
• IUPAC Traditional name: 3-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-6-methylpyridazine
• Synonyms: 3-[3-(1-ethyl-1H-imidazol-2-yl)-1-piperidinyl]-6-methylpyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6581338
• LogD (pH = 7.4): 1.5075021
• Log P: 1.6203634
• Molar Refractivity: 81.781 cm^3
• Polarizability: 29.857798 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.89
• LOG S: -1.94
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3