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

• ChemBase ID: 452191
• Molecular Formular: C16H19N5
• Molecular Mass: 281.35556
• Monoisotopic Mass: 281.16404563
• SMILES: N1(c2c(N3CCCC3)nccn2)CC(C1)c1ncccc1
• Canonical SMILES: c1ccc(nc1)C1CN(C1)c1nccnc1N1CCCC1
• InChI: InChI=1S/C16H19N5/c1-2-6-17-14(5-1)13-11-21(12-13)16-15(18-7-8-19-16)20-9-3-4-10-20/h1-2,5-8,13H,3-4,9-12H2
• InChIKey: AWKRVSIXOSSQIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8377395
• LogD (pH = 7.4): 1.9530741
• Log P: 1.9547787
• Molar Refractivity: 83.4902 cm^3
• Polarizability: 30.864267 Å^3
• Polar Surface Area: 45.15 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: 1.16
• LOG S: -0.94
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 3