1-[6-(cyclopentylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-ol

• ChemBase ID: 551055
• Molecular Formular: C14H20N6O2
• Molecular Mass: 304.3476
• Monoisotopic Mass: 304.16477391
• SMILES: n1c2c(nc(c1N1CC(O)CCC1)NC1CCCC1)non2
• Canonical SMILES: OC1CCCN(C1)c1nc2nonc2nc1NC1CCCC1
• InChI: InChI=1S/C14H20N6O2/c21-10-6-3-7-20(8-10)14-13(15-9-4-1-2-5-9)16-11-12(17-14)19-22-18-11/h9-10,21H,1-8H2,(H,15,16,18)
• InChIKey: NUPPIWZLWRDMTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-(cyclopentylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-ol
• IUPAC Traditional name: 1-[6-(cyclopentylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-ol
• Synonyms: 1-[6-(cyclopentylamino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-3-piperidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.868756
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 1.4378341
• LogD (pH = 7.4): 1.4378341
• Log P: 1.4378341
• Molar Refractivity: 86.1327 cm^3
• Polarizability: 29.817757 Å^3
• Polar Surface Area: 100.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 3.84
• LOG S: -3.77
• Polar Surface Area: 100.2 Å^2
• Rotatable Bonds: 3