3-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyridazine

• ChemBase ID: 701722
• Molecular Formular: C15H21N5O
• Molecular Mass: 287.36014
• Monoisotopic Mass: 287.17461032
• SMILES: c1(C2CN(c3nnccc3)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)c1cccnn1
• InChI: InChI=1S/C15H21N5O/c1-21-11-10-19-9-7-16-15(19)13-4-3-8-20(12-13)14-5-2-6-17-18-14/h2,5-7,9,13H,3-4,8,10-12H2,1H3
• InChIKey: YMBBWAZUYUTZNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyridazine
• IUPAC Traditional name: 3-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl}pyridazine
• Synonyms: 3-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.14663056
• LogD (pH = 7.4): 0.97664684
• Log P: 1.0852097
• Molar Refractivity: 83.4844 cm^3
• Polarizability: 30.637503 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.09
• LOG S: -2.53
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 5