N5,N5,N6-trimethyl-N6-(pyrazin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

• ChemBase ID: 411639
• Molecular Formular: C12H14N8O
• Molecular Mass: 286.29256
• Monoisotopic Mass: 286.12905711
• SMILES: n1c2c(nc(c1N(Cc1nccnc1)C)N(C)C)non2
• Canonical SMILES: CN(c1nc2nonc2nc1N(C)C)Cc1cnccn1
• InChI: InChI=1S/C12H14N8O/c1-19(2)11-12(16-10-9(15-11)17-21-18-10)20(3)7-8-6-13-4-5-14-8/h4-6H,7H2,1-3H3
• InChIKey: ZOZDBEVEPITVLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N5,N5,N6-trimethyl-N6-(pyrazin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
• IUPAC Traditional name: N5,N5,N6-trimethyl-N6-(pyrazin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
• Synonyms: N,N,N'-trimethyl-N'-(2-pyrazinylmethyl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 0.31353283
• LogD (pH = 7.4): 0.31353566
• Log P: 0.3135357
• Molar Refractivity: 80.2274 cm^3
• Polarizability: 27.409126 Å^3
• Polar Surface Area: 96.96 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: 2.0
• LOG S: -0.73
• Polar Surface Area: 96.96 Å^2
• Rotatable Bonds: 3