2-methyl-5-[4-(pyridin-3-yl)piperazine-1-carbonyl]pyrazine

• ChemBase ID: 510346
• Molecular Formular: C15H17N5O
• Molecular Mass: 283.32838
• Monoisotopic Mass: 283.14331019
• SMILES: C(=O)(c1ncc(nc1)C)N1CCN(CC1)c1cnccc1
• Canonical SMILES: Cc1cnc(cn1)C(=O)N1CCN(CC1)c1cccnc1
• InChI: InChI=1S/C15H17N5O/c1-12-9-18-14(11-17-12)15(21)20-7-5-19(6-8-20)13-3-2-4-16-10-13/h2-4,9-11H,5-8H2,1H3
• InChIKey: WFFDIQLUOLDOSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-[4-(pyridin-3-yl)piperazine-1-carbonyl]pyrazine
• IUPAC Traditional name: 2-methyl-5-[4-(pyridin-3-yl)piperazine-1-carbonyl]pyrazine
• Synonyms: 2-methyl-5-{[4-(3-pyridinyl)-1-piperazinyl]carbonyl}pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.41409546
• LogD (pH = 7.4): -0.13203594
• Log P: -0.12631875
• Molar Refractivity: 79.2272 cm^3
• Polarizability: 29.628313 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.53
• LOG S: -2.12
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 2