N-methoxy-N-methylpyrazine-2-carboxamide

• ChemBase ID: 810408
• Molecular Formular: C7H9N3O2
• Molecular Mass: 167.16526
• Monoisotopic Mass: 167.06947654
• SMILES: c1c(nccn1)C(=O)N(C)OC
• Canonical SMILES: CN(C(=O)c1cnccn1)OC
• InChI: InChI=1S/C7H9N3O2/c1-10(12-2)7(11)6-5-8-3-4-9-6/h3-5H,1-2H3
• InChIKey: JIHLDFSGBWILSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methylpyrazine-2-carboxamide
• IUPAC Traditional name: N-methoxy-N-methylpyrazine-2-carboxamide
• Synonyms: N-METHOXY-N-METHYL-PYRAZINE-2-CARBOXAMIDE

Database IDs

• CAS Number: 317335-26-5

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.6271535
• LogD (pH = 7.4): -0.62715334
• Log P: -0.62715334
• Molar Refractivity: 41.5942 cm^3
• Polarizability: 15.82877 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%