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CS-W001157 4
Total: USD 88.00

4H-1,2,4-Triazole

  • CAS No. 63598-71-0

  • Cat. No. CS-0368547
  • Purity≥96%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

4H-1,2,4-Triazole|CS-0368547

Structure of 63598-71-0

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General Information

  • CAS No. 63598-71-0
  • Cat. No. CS-0368547
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂H₃N₃
  • Molecular Weight 69.07
  • Synonym(s) 1H-1,2,4-triazole
  • SMILES N1=CNC=N1

Description

4H-1,2,4-Triazole is a bench-stable, nitrogen-rich heterocycle featuring three contiguous nitrogen atoms that enable strong hydrogen bonding and coordination to metal ions. This structural motif integrates readily into bioactive molecules, serving as a key pharmacophore in medicinal chemistry and offering enhanced solubility and metabolic stability in drug candidates.

Application

4H-1,2,4-Triazole serves as a versatile heterocyclic building block in medicinal chemistry and materials science. Its nitrogen-rich framework enables robust hydrogen bonding and π-stacking interactions, enhancing molecular recognition in drug candidates. The ring functions as a bioisostere for carboxylic acids and amides, offering improved metabolic stability and solubility. It participates reliably in standard coupling reactions and exhibits favorable bench stability, facilitating purification and integration into complex synthetic sequences.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   -0.1953
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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