2-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazine

• ChemBase ID: 617826
• Molecular Formular: C13H16N6O
• Molecular Mass: 272.30574
• Monoisotopic Mass: 272.13855916
• SMILES: c1(oc(nn1)C1CC1)N1CCN(c2nccnc2)CC1
• Canonical SMILES: c1cnc(cn1)N1CCN(CC1)c1nnc(o1)C1CC1
• InChI: InChI=1S/C13H16N6O/c1-2-10(1)12-16-17-13(20-12)19-7-5-18(6-8-19)11-9-14-3-4-15-11/h3-4,9-10H,1-2,5-8H2
• InChIKey: IBKVMKFURLQTHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazine
• IUPAC Traditional name: 2-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazine
• Synonyms: 2-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.5470848
• LogD (pH = 7.4): 0.54719144
• Log P: 0.5471928
• Molar Refractivity: 75.2737 cm^3
• Polarizability: 26.937866 Å^3
• Polar Surface Area: 71.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -1.0
• LOG S: -2.55
• Polar Surface Area: 71.18 Å^2
• Rotatable Bonds: 3