1-[4-(pyrazin-2-yl)piperazin-1-yl]-2-(pyridin-3-yl)ethan-1-one

• ChemBase ID: 700130
• Molecular Formular: C15H17N5O
• Molecular Mass: 283.32838
• Monoisotopic Mass: 283.14331019
• SMILES: N1(C(=O)Cc2cnccc2)CCN(c2nccnc2)CC1
• Canonical SMILES: O=C(N1CCN(CC1)c1cnccn1)Cc1cccnc1
• InChI: InChI=1S/C15H17N5O/c21-15(10-13-2-1-3-16-11-13)20-8-6-19(7-9-20)14-12-17-4-5-18-14/h1-5,11-12H,6-10H2
• InChIKey: QWZVMEWKJMAIKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(pyrazin-2-yl)piperazin-1-yl]-2-(pyridin-3-yl)ethan-1-one
• IUPAC Traditional name: 1-[4-(pyrazin-2-yl)piperazin-1-yl]-2-(pyridin-3-yl)ethanone
• Synonyms: 2-[4-(pyridin-3-ylacetyl)piperazin-1-yl]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.15005802
• LogD (pH = 7.4): -0.07006455
• Log P: -0.06891634
• Molar Refractivity: 79.3726 cm^3
• Polarizability: 29.905499 Å^3
• Polar Surface Area: 62.22 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: -0.34
• LOG S: -0.99
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 3