2-methoxy-3-[3-(pyridin-4-yl)azetidin-1-yl]pyrazine

• ChemBase ID: 555491
• Molecular Formular: C13H14N4O
• Molecular Mass: 242.27646
• Monoisotopic Mass: 242.11676109
• SMILES: N1(c2c(nccn2)OC)CC(C1)c1ccncc1
• Canonical SMILES: COc1nccnc1N1CC(C1)c1ccncc1
• InChI: InChI=1S/C13H14N4O/c1-18-13-12(15-6-7-16-13)17-8-11(9-17)10-2-4-14-5-3-10/h2-7,11H,8-9H2,1H3
• InChIKey: HZNLAJJAHGKQEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.7749788
• LogD (pH = 7.4): 0.9579754
• Log P: 0.9610785
• Molar Refractivity: 68.5139 cm^3
• Polarizability: 25.615614 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.54
• LOG S: -0.98
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 3