5,6-dimethyl-1,2,3,4-tetrahydropyrazine-2,3-dione

• ChemBase ID: 292574
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: Cc1[nH]c(=O)c(=O)[nH]c1C
• Canonical SMILES: Cc1[nH]c(=O)c(=O)[nH]c1C
• InChI: InChI=1S/C6H8N2O2/c1-3-4(2)8-6(10)5(9)7-3/h1-2H3,(H,7,9)(H,8,10)
• InChIKey: JNUHHWNIVGUCRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethyl-1,2,3,4-tetrahydropyrazine-2,3-dione
• IUPAC Traditional name: 5,6-dimethyl-1,4-dihydropyrazine-2,3-dione
• Synonyms: 5,6-Dimethylpyrazine-2,3(1H,4H)-dione

Database IDs

• CAS Number: 32493-62-2
• PubChem SID: 180678105
• PubChem CID: 70701026

CALCULATED PROPERTIES

• Acid pKa: 7.809958
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.8412789
• LogD (pH = 7.4): -0.9632914
• Log P: -0.83939934
• Molar Refractivity: 36.9232 cm^3
• Polarizability: 13.29664 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%