8-chloro-2H,3H-imidazo[1,2-a]pyrazine hydrochloride

• ChemBase ID: 84841
• Molecular Formular: C6H7Cl2N3
• Molecular Mass: 192.04588
• Monoisotopic Mass: 191.0017026
• SMILES: Cl.N1=c2c(nccn2CC1)Cl
• Canonical SMILES: Clc1nccn2c1=NCC2.Cl
• InChI: InChI=1S/C6H6ClN3.ClH/c7-5-6-9-2-4-10(6)3-1-8-5;/h1,3H,2,4H2;1H
• InChIKey: OWBKOKLUXPZASR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2H,3H-imidazo[1,2-a]pyrazine hydrochloride
• IUPAC Traditional name: 8-chloro-2H,3H-imidazo[1,2-a]pyrazine hydrochloride
• Synonyms: 8-Chloro-2,3-dihydroimidazo[1,2-a]pyrazine hydrochloride

Database IDs

• CAS Number: 143592-06-7
• MDL Number: MFCD02180652
• PubChem SID: 162071957
• PubChem CID: 2794950

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.26188207
• LogD (pH = 7.4): 0.26306263
• Log P: 0.2630777
• Molar Refractivity: 39.6579 cm^3
• Polarizability: 14.576358 Å^3
• Polar Surface Area: 27.96 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 273-275°C

Safety Information

• Storage Warning: Harmful