8-chloro-[1,2,4]triazolo[1,5-a]pyrazine

• ChemBase ID: 68285
• Molecular Formular: C5H3ClN4
• Molecular Mass: 154.55712
• Monoisotopic Mass: 154.0046238
• SMILES: c12c(nccn1ncn2)Cl
• Canonical SMILES: Clc1nccn2c1ncn2
• InChI: InChI=1S/C5H3ClN4/c6-4-5-8-3-9-10(5)2-1-7-4/h1-3H
• InChIKey: VZMFNXVRYOJRMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-[1,2,4]triazolo[1,5-a]pyrazine
• IUPAC Traditional name: 8-chloro-[1,2,4]triazolo[1,5-a]pyrazine
• Synonyms: 8-Chloro[1,2,4]triazolo[1,5-a]pyrazine

Database IDs

• CAS Number: 74803-32-0
• MDL Number: MFCD09834989
• PubChem SID: 162034017
• PubChem CID: 18388392

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.77135634
• LogD (pH = 7.4): 0.7713565
• Log P: 0.7713565
• Molar Refractivity: 48.4609 cm^3
• Polarizability: 13.579967 Å^3
• Polar Surface Area: 43.08 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%