N5-cyclopropyl-N6-[2-(furan-2-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

• ChemBase ID: 720347
• Molecular Formular: C13H14N6O2
• Molecular Mass: 286.28926
• Monoisotopic Mass: 286.11782372
• SMILES: c12c(nc(c(n1)NC1CC1)NCCc1occc1)non2
• Canonical SMILES: C(Nc1nc2nonc2nc1NC1CC1)Cc1ccco1
• InChI: InChI=1S/C13H14N6O2/c1-2-9(20-7-1)5-6-14-10-11(15-8-3-4-8)17-13-12(16-10)18-21-19-13/h1-2,7-8H,3-6H2,(H,14,16,18)(H,15,17,19)
• InChIKey: AQAXKNHOKDRRPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N5-cyclopropyl-N6-[2-(furan-2-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
• IUPAC Traditional name: N5-cyclopropyl-N6-[2-(furan-2-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
• Synonyms: N-cyclopropyl-N'-[2-(2-furyl)ethyl][1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.531769
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.9826317
• LogD (pH = 7.4): 0.9826479
• Log P: 0.98264813
• Molar Refractivity: 81.0613 cm^3
• Polarizability: 27.124456 Å^3
• Polar Surface Area: 101.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 4.2
• LOG S: -3.43
• Polar Surface Area: 101.9 Å^2
• Rotatable Bonds: 6