pyrazine-2-carboximidamide hydrochloride

• ChemBase ID: 66990
• Molecular Formular: C5H7ClN4
• Molecular Mass: 158.58888
• Monoisotopic Mass: 158.03592392
• SMILES: c1(cnccn1)C(=N)N.Cl
• Canonical SMILES: NC(=N)c1cnccn1.Cl
• InChI: InChI=1S/C5H6N4.ClH/c6-5(7)4-3-8-1-2-9-4;/h1-3H,(H3,6,7);1H
• InChIKey: FCVKLVNLBIBCCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazine-2-carboximidamide hydrochloride
• IUPAC Traditional name: pyrazine-2-carboximidamide hydrochloride
• Synonyms: Pyrazine-2-carboxamidine hydrochloride 97%; Pyrazine-2-carboximidamide hydrochloride; PYRAZINE-2-CARBOXAMIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 138588-41-7
• MDL Number: MFCD00052151
• PubChem SID: 162032726
• PubChem CID: 470895

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; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%