(Z)-N'-cyanopyrazine-2-carboximidamide

• ChemBase ID: 54318
• Molecular Formular: C6H5N5
• Molecular Mass: 147.1374
• Monoisotopic Mass: 147.05449519
• SMILES: c1cncc(n1)/C(=N/C#N)/N
• Canonical SMILES: N/C(=N\C#N)/c1cnccn1
• InChI: InChI=1S/C6H5N5/c7-4-11-6(8)5-3-9-1-2-10-5/h1-3H,(H2,8,11)
• InChIKey: GQEMVBNZQLEUED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-cyanopyrazine-2-carboximidamide
• IUPAC Traditional name: (Z)-N'-cyanopyrazine-2-carboximidamide
• Synonyms: Pyrazine-2-N-cyanoamidine

Database IDs

• CAS Number: 1053656-81-7
• MDL Number: MFCD09864979
• PubChem SID: 162059081
• PubChem CID: 51064039

CALCULATED PROPERTIES

• Acid pKa: 18.865038
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.9515887
• LogD (pH = 7.4): -0.9515877
• Log P: -0.9515877
• Molar Refractivity: 38.4854 cm^3
• Polarizability: 13.96454 Å^3
• Polar Surface Area: 87.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%