2-(piperazine-1-carbonyl)pyrazine hydrochloride

• ChemBase ID: 267284
• Molecular Formular: C9H13ClN4O
• Molecular Mass: 228.67872
• Monoisotopic Mass: 228.07778874
• SMILES: C(=O)(c1nccnc1)N1CCNCC1.Cl
• Canonical SMILES: O=C(c1nccnc1)N1CCNCC1.Cl
• InChI: InChI=1S/C9H12N4O.ClH/c14-9(8-7-11-1-2-12-8)13-5-3-10-4-6-13;/h1-2,7,10H,3-6H2;1H
• InChIKey: NPKRCHIUWCJZCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazine-1-carbonyl)pyrazine hydrochloride
• IUPAC Traditional name: 2-(piperazine-1-carbonyl)pyrazine hydrochloride
• Synonyms: 2-[(piperazin-1-yl)carbonyl]pyrazine hydrochloride

Database IDs

• MDL Number: MFCD09607872
• PubChem SID: 164323194
• PubChem CID: 45789009

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.588127
• LogD (pH = 7.4): -1.8742493
• Log P: -1.3141847
• Molar Refractivity: 50.9994 cm^3
• Polarizability: 19.565975 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 218 - 220°C
• Hydrophobicity(logP): -1.298

Product Information

• Purity: 95%