2-(hydrazinylmethyl)pyrazine

• ChemBase ID: 799623
• Molecular Formular: C5H8N4
• Molecular Mass: 124.14382
• Monoisotopic Mass: 124.07489628
• SMILES: c1c(nccn1)CNN
• Canonical SMILES: NNCc1cnccn1
• InChI: InChI=1S/C5H8N4/c6-9-4-5-3-7-1-2-8-5/h1-3,9H,4,6H2
• InChIKey: UPLFPQBPSJMIIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(hydrazinylmethyl)pyrazine
• IUPAC Traditional name: 2-(hydrazinylmethyl)pyrazine
• Synonyms: 2-(hydrazinylmethyl)pyrazine

Database IDs

• CAS Number: 887592-66-7

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.542846
• LogD (pH = 7.4): -1.4409796
• Log P: -1.4395142
• Molar Refractivity: 44.6723 cm^3
• Polarizability: 13.227188 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%