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

• ChemBase ID: 606442
• Molecular Formular: C15H22N6O3
• Molecular Mass: 334.37358
• Monoisotopic Mass: 334.17533859
• SMILES: n1c2c(nc(c1N1CCCCC1)N(CC1OCCOC1)C)non2
• Canonical SMILES: CN(c1nc2nonc2nc1N1CCCCC1)CC1COCCO1
• InChI: InChI=1S/C15H22N6O3/c1-20(9-11-10-22-7-8-23-11)14-15(21-5-3-2-4-6-21)17-13-12(16-14)18-24-19-13/h11H,2-10H2,1H3
• InChIKey: JFBULJNJSSPYMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 1.5875927
• LogD (pH = 7.4): 1.5875927
• Log P: 1.5875927
• Molar Refractivity: 92.381 cm^3
• Polarizability: 32.454 Å^3
• Polar Surface Area: 89.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 3.44
• LOG S: -1.89
• Polar Surface Area: 89.64 Å^2
• Rotatable Bonds: 4