2-iodo-5-(piperazin-1-yl)pyrazine

• ChemBase ID: 801526
• Molecular Formular: C8H11IN4
• Molecular Mass: 290.10421
• Monoisotopic Mass: 290.00284437
• SMILES: c1c(ncc(n1)N1CCNCC1)I
• Canonical SMILES: Ic1ncc(nc1)N1CCNCC1
• InChI: InChI=1S/C8H11IN4/c9-7-5-12-8(6-11-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
• InChIKey: VPTDLRHASOPHPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-5-(piperazin-1-yl)pyrazine
• IUPAC Traditional name: 2-iodo-5-(piperazin-1-yl)pyrazine
• Synonyms: 2-IODO-5-PIPERAZIN-1-YLPYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2702613
• LogD (pH = 7.4): -0.6805612
• Log P: 0.6660061
• Molar Refractivity: 60.3123 cm^3
• Polarizability: 23.150263 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%