6-(morpholin-4-yl)-N-[1-(thiophen-2-yl)propyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

• ChemBase ID: 685846
• Molecular Formular: C15H18N6O2S
• Molecular Mass: 346.40742
• Monoisotopic Mass: 346.12119485
• SMILES: n1c2c(nc(c1N1CCOCC1)NC(c1sccc1)CC)non2
• Canonical SMILES: CCC(c1cccs1)Nc1nc2nonc2nc1N1CCOCC1
• InChI: InChI=1S/C15H18N6O2S/c1-2-10(11-4-3-9-24-11)16-14-15(21-5-7-22-8-6-21)18-13-12(17-14)19-23-20-13/h3-4,9-10H,2,5-8H2,1H3,(H,16,17,19)
• InChIKey: PGZMMIBNWTXSHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)-N-[1-(thiophen-2-yl)propyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
• IUPAC Traditional name: 6-(morpholin-4-yl)-N-[1-(thiophen-2-yl)propyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
• Synonyms: 6-(4-morpholinyl)-N-[1-(2-thienyl)propyl][1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.554565
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 2.6656213
• LogD (pH = 7.4): 2.6656213
• Log P: 2.6656213
• Molar Refractivity: 95.7358 cm^3
• Polarizability: 33.359177 Å^3
• Polar Surface Area: 89.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 4.21
• LOG S: -3.52
• Polar Surface Area: 89.2 Å^2
• Rotatable Bonds: 4