1-methyl-1H,2H,3H,4H-pyrazino[2,3-b]quinoxaline

• ChemBase ID: 252959
• Molecular Formular: C11H12N4
• Molecular Mass: 200.23978
• Monoisotopic Mass: 200.1061964
• SMILES: c12nc3c(nc1NCCN2C)cccc3
• Canonical SMILES: CN1CCNc2c1nc1ccccc1n2
• InChI: InChI=1S/C11H12N4/c1-15-7-6-12-10-11(15)14-9-5-3-2-4-8(9)13-10/h2-5H,6-7H2,1H3,(H,12,13)
• InChIKey: GRRUUAXFNIYAIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H,2H,3H,4H-pyrazino[2,3-b]quinoxaline
• IUPAC Traditional name: 1-methyl-2H,3H,4H-pyrazino[2,3-b]quinoxaline
• Synonyms: 1-methyl-1,2,3,4-tetrahydropyrazino[2,3-b]quinoxaline

Database IDs

• MDL Number: MFCD08689813
• PubChem SID: 164308869
• PubChem CID: 16227533

CALCULATED PROPERTIES

• Acid pKa: 18.557808
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8951921
• LogD (pH = 7.4): 1.897264
• Log P: 1.8972905
• Molar Refractivity: 60.7308 cm^3
• Polarizability: 23.132647 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.635

Product Information

• Purity: 95%