N-methoxy-N-methyl-2-(pyrazin-2-yl)acetamide

• ChemBase ID: 815413
• Molecular Formular: C8H11N3O2
• Molecular Mass: 181.19184
• Monoisotopic Mass: 181.08512661
• SMILES: C(C(=O)N(C)OC)c1cnccn1
• Canonical SMILES: CN(C(=O)Cc1cnccn1)OC
• InChI: InChI=1S/C8H11N3O2/c1-11(13-2)8(12)5-7-6-9-3-4-10-7/h3-4,6H,5H2,1-2H3
• InChIKey: NAVCMSSQGULOOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methyl-2-(pyrazin-2-yl)acetamide
• IUPAC Traditional name: N-methoxy-N-methyl-2-(pyrazin-2-yl)acetamide
• Synonyms: N-methoxy-N-methyl-2-(pyrazin-2-yl)acetamide

Database IDs

• CAS Number: 1060815-24-8

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.64699143
• LogD (pH = 7.4): -0.64698803
• Log P: -0.646988
• Molar Refractivity: 45.6456 cm^3
• Polarizability: 17.84968 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%