N6-cyclobutyl-N5,N5-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

• ChemBase ID: 388153
• Molecular Formular: C10H14N6O
• Molecular Mass: 234.25776
• Monoisotopic Mass: 234.1229091
• SMILES: c12nc(c(nc1non2)NC1CCC1)N(C)C
• Canonical SMILES: CN(c1nc2nonc2nc1NC1CCC1)C
• InChI: InChI=1S/C10H14N6O/c1-16(2)10-9(11-6-4-3-5-6)12-7-8(13-10)15-17-14-7/h6H,3-5H2,1-2H3,(H,11,12,14)
• InChIKey: IHDQAARFDFKUFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N6-cyclobutyl-N5,N5-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
• IUPAC Traditional name: N6-cyclobutyl-N5,N5-dimethyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
• Synonyms: N'-cyclobutyl-N,N-dimethyl[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.599726
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.217803
• LogD (pH = 7.4): 1.217803
• Log P: 1.217803
• Molar Refractivity: 68.0282 cm^3
• Polarizability: 22.552294 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: 3.54
• LOG S: -2.59
• Polar Surface Area: 79.97 Å^2
• Rotatable Bonds: 2