5H,6H,7H,8H-imidazo[1,2-a]pyrazine dihydrochloride

• ChemBase ID: 273569
• Molecular Formular: C6H11Cl2N3
• Molecular Mass: 196.07764
• Monoisotopic Mass: 195.03300273
• SMILES: c12n(ccn1)CCNC2.Cl.Cl
• Canonical SMILES: N1CCn2c(C1)ncc2.Cl.Cl
• InChI: InChI=1S/C6H9N3.2ClH/c1-3-9-4-2-8-6(9)5-7-1;;/h2,4,7H,1,3,5H2;2*1H
• InChIKey: PAOKZPZSARVHBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H,8H-imidazo[1,2-a]pyrazine dihydrochloride
• IUPAC Traditional name: 5H,6H,7H,8H-imidazo[1,2-a]pyrazine dihydrochloride
• Synonyms: 5H,6H,7H,8H-imidazo[1,2-a]pyrazine dihydrochloride

Database IDs

• MDL Number: MFCD10624728
• PubChem SID: 164329479
• PubChem CID: 42946398

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9415866
• LogD (pH = 7.4): -0.6277206
• Log P: -0.4615578
• Molar Refractivity: 34.5155 cm^3
• Polarizability: 13.379874 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.78

Product Information

• Purity: 95%