N-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(pyrazin-2-yl)piperidin-3-amine

• ChemBase ID: 756694
• Molecular Formular: C12H16N6O
• Molecular Mass: 260.29504
• Monoisotopic Mass: 260.13855916
• SMILES: c1(oc(nn1)C)NC1CN(c2nccnc2)CCC1
• Canonical SMILES: Cc1nnc(o1)NC1CCCN(C1)c1cnccn1
• InChI: InChI=1S/C12H16N6O/c1-9-16-17-12(19-9)15-10-3-2-6-18(8-10)11-7-13-4-5-14-11/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,17)
• InChIKey: OBSWGSXSSTXDQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(pyrazin-2-yl)piperidin-3-amine
• IUPAC Traditional name: N-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(pyrazin-2-yl)piperidin-3-amine
• Synonyms: N-(5-methyl-1,3,4-oxadiazol-2-yl)-1-pyrazin-2-ylpiperidin-3-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.905502
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.23089574
• LogD (pH = 7.4): -0.23090993
• Log P: -0.23077965
• Molar Refractivity: 72.8199 cm^3
• Polarizability: 25.822714 Å^3
• Polar Surface Area: 79.97 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.16
• LOG S: -2.09
• Polar Surface Area: 79.97 Å^2
• Rotatable Bonds: 3