pyrazine-2-carboximidamide

• ChemBase ID: 34779
• Molecular Formular: C5H6N4
• Molecular Mass: 122.12794
• Monoisotopic Mass: 122.05924621
• SMILES: c1(C(=N)N)nccnc1
• Canonical SMILES: NC(=N)c1cnccn1
• InChI: InChI=1S/C5H6N4/c6-5(7)4-3-8-1-2-9-4/h1-3H,(H3,6,7)
• InChIKey: CEEVRMDYKKNRAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazine-2-carboximidamide
• IUPAC Traditional name: pyrazine-2-carboximidamide
• Synonyms: Pyrazine-2-carboximidamide

Database IDs

• CAS Number: 138588-41-7
• MDL Number: MFCD05663360
• PubChem SID: 160998086
• PubChem CID: 470896

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.989921
• LogD (pH = 7.4): -1.4858333
• Log P: -1.1557802
• Molar Refractivity: 43.0447 cm^3
• Polarizability: 12.249308 Å^3
• Polar Surface Area: 75.65 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false