N-cyclopropyl-6-(piperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

• ChemBase ID: 361042
• Molecular Formular: C12H16N6O
• Molecular Mass: 260.29504
• Monoisotopic Mass: 260.13855916
• SMILES: n1c2c(nc(c1N1CCCCC1)NC1CC1)non2
• Canonical SMILES: C1CCN(CC1)c1nc2nonc2nc1NC1CC1
• InChI: InChI=1S/C12H16N6O/c1-2-6-18(7-3-1)12-11(13-8-4-5-8)14-9-10(15-12)17-19-16-9/h8H,1-7H2,(H,13,14,16)
• InChIKey: BZBKQXCPLOUBBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-6-(piperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
• IUPAC Traditional name: N-cyclopropyl-6-(piperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
• Synonyms: N-cyclopropyl-6-(1-piperidinyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.552881
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.6236005
• LogD (pH = 7.4): 1.6236005
• Log P: 1.6236005
• Molar Refractivity: 75.5692 cm^3
• Polarizability: 25.493563 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: 4.17
• LOG S: -3.54
• Polar Surface Area: 79.97 Å^2
• Rotatable Bonds: 3