1,5,7,11-tetraazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione dihydrochloride

• ChemBase ID: 293054
• Molecular Formular: C8H6Cl2N4O2
• Molecular Mass: 261.06484
• Monoisotopic Mass: 259.98678081
• SMILES: O=c1c2cncn2c(=O)c2cncn12.Cl.Cl
• Canonical SMILES: O=c1c2cncn2c(=O)c2n1cnc2.Cl.Cl
• InChI: InChI=1S/C8H4N4O2.2ClH/c13-7-5-1-9-3-11(5)8(14)6-2-10-4-12(6)7;;/h1-4H;2*1H
• InChIKey: JDFOVNMCCJAZEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5,7,11-tetraazatricyclo[7.3.0.0^3,^7]dodeca-3,5,9,11-tetraene-2,8-dione dihydrochloride
• IUPAC Traditional name: 1,5,7,11-tetraazatricyclo[7.3.0.0^3,^7]dodeca-3,5,9,11-tetraene-2,8-dione dihydrochloride
• Synonyms: Diimidazo[1,5-a:1',5'-d]pyrazine-5,10-dione dihydrochloride

Database IDs

• CAS Number: 1215646-82-4
• MDL Number: MFCD01631199
• PubChem SID: 180678585
• PubChem CID: 46738799

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.0489707
• LogD (pH = 7.4): -2.0489707
• Log P: -2.0489707
• Molar Refractivity: 45.5462 cm^3
• Polarizability: 16.70224 Å^3
• Polar Surface Area: 69.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%