2-bromopyrazino[2,3-b][1,4]diazine

• ChemBase ID: 310078
• Molecular Formular: C6H3BrN4
• Molecular Mass: 211.01882
• Monoisotopic Mass: 209.95410812
• SMILES: n1c2c(ncc1Br)nccn2
• Canonical SMILES: Brc1cnc2c(n1)nccn2
• InChI: InChI=1S/C6H3BrN4/c7-4-3-10-5-6(11-4)9-2-1-8-5/h1-3H
• InChIKey: MMWCCMIZTSDIKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromopyrazino[2,3-b][1,4]diazine
• IUPAC Traditional name: 2-bromopyrazino[2,3-b][1,4]diazine
• Synonyms: 2-bromopyrazino[2,3-b]pyrazine

Database IDs

• CAS Number: 882856-62-4

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4880168
• LogD (pH = 7.4): 0.48801726
• Log P: 0.48801726
• Molar Refractivity: 44.7472 cm^3
• Polarizability: 15.994178 Å^3
• Polar Surface Area: 51.56 Å^2