2-bromo-6-methylpyrazino[2,3-b][1,4]diazine

• ChemBase ID: 67033
• Molecular Formular: C7H5BrN4
• Molecular Mass: 225.0454
• Monoisotopic Mass: 223.96975818
• SMILES: c12c(ncc(n1)Br)nc(cn2)C
• Canonical SMILES: Cc1cnc2c(n1)ncc(n2)Br
• InChI: InChI=1S/C7H5BrN4/c1-4-2-9-7-6(11-4)10-3-5(8)12-7/h2-3H,1H3
• InChIKey: GIVAQAIJCWLXQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-methylpyrazino[2,3-b][1,4]diazine
• IUPAC Traditional name: 2-bromo-6-methylpyrazino[2,3-b][1,4]diazine
• Synonyms: 2-Bromo-6-methylpyrazino[2,3-b]pyrazine

Database IDs

• CAS Number: 91225-51-3
• MDL Number: MFCD08706339
• PubChem SID: 162032769
• PubChem CID: 13317220

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.61938715
• LogD (pH = 7.4): 0.61938745
• Log P: 0.61938745
• Molar Refractivity: 49.3387 cm^3
• Polarizability: 17.71873 Å^3
• Polar Surface Area: 51.56 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%