2,5-dimethyl-3-[3-(pyridin-4-yl)azetidin-1-yl]pyrazine

• ChemBase ID: 415773
• Molecular Formular: C14H16N4
• Molecular Mass: 240.30364
• Monoisotopic Mass: 240.13749653
• SMILES: N1(c2nc(cnc2C)C)CC(C1)c1ccncc1
• Canonical SMILES: Cc1cnc(c(n1)N1CC(C1)c1ccncc1)C
• InChI: InChI=1S/C14H16N4/c1-10-7-16-11(2)14(17-10)18-8-13(9-18)12-3-5-15-6-4-12/h3-7,13H,8-9H2,1-2H3
• InChIKey: PXYQUQNYUGGRNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-3-[3-(pyridin-4-yl)azetidin-1-yl]pyrazine
• IUPAC Traditional name: 2,5-dimethyl-3-[3-(pyridin-4-yl)azetidin-1-yl]pyrazine
• Synonyms: 2,5-dimethyl-3-[3-(4-pyridinyl)-1-azetidinyl]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.60039485
• LogD (pH = 7.4): 0.78392255
• Log P: 0.7870326
• Molar Refractivity: 70.9202 cm^3
• Polarizability: 26.614653 Å^3
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.33
• LOG S: -0.79
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 2