pyrazine-1,4-diium-1,4-bis(olate)

• ChemBase ID: 177119
• Molecular Formular: C4H4N2O2
• Molecular Mass: 112.08676
• Monoisotopic Mass: 112.02727738
• SMILES: c1[n+](cc[n+](c1)[O-])[O-]
• Canonical SMILES: [O-][n+]1cc[n+](cc1)[O-]
• InChI: InChI=1S/C4H4N2O2/c7-5-1-2-6(8)4-3-5/h1-4H
• InChIKey: SXTKIFFXFIDYJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazine-1,4-diium-1,4-bis(olate)
• IUPAC Traditional name: pyrazine-1,4-diium-1,4-bis(olate)
• Synonyms: Pyrazine N,N'-Dioxide; Pyrazine Di-N-oxide; Pyrazine Dioxide; Pyrazine 1,4-Dioxide

Database IDs

• CAS Number: 2423-84-9
• PubChem SID: 164233029
• PubChem CID: 520103

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.982413
• LogD (pH = 7.4): -2.9824128
• Log P: -2.9824128
• Molar Refractivity: 29.1232 cm^3
• Polarizability: 9.590917 Å^3
• Polar Surface Area: 50.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true