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1-Methyl-1H-1,2,4-triazole-5-carboxylic acid

  • CAS No. 815588-93-3

  • Cat. No. CS-0044072
  • Purity≥98%
  • MDL No.MFCD11100092

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

1-Methyl-1H-1,2,4-triazole-5-carboxylic acid|CS-0044072

Structure of 815588-93-3

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General Information

  • CAS No. 815588-93-3
  • Cat. No. CS-0044072
  • Purity ≥98%
  • MDL No. MFCD11100092
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅N₃O₂
  • Molecular Weight 127.10
  • Synonym(s) 2-Methyl-1,2,4-triazole-3-carboxylic acid
  • SMILES O=C(C1=NC=NN1C)O

Description

1-Methyl-1H-1,2,4-triazole-5-carboxylic acid features a polar triazole core with a methyl-substituted nitrogen and a carboxylic acid group, enabling versatile conjugation and hydrogen bonding. This bench-stable compound integrates readily into bioconjugation workflows and serves as a key scaffold in medicinal chemistry for targeted molecule design.

Application

1-Methyl-1H-1,2,4-triazole-5-carboxylic acid serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. Its carboxylic acid functionality enables direct coupling reactions for peptide and amide bond formation, while the triazole ring offers metabolic stability and hydrogen-bonding capacity. The methyl substitution enhances solubility and reduces unwanted side reactivity, facilitating purification and handling in standard synthetic workflows.

Synthesis

  • Route1
    • 1-Methyl-1,2,4-triazole Efinaconazole Impurity|CS-0460291
      6086-21-1
    • null|null
      124-38-9
    • ~%
    • In-stock
      1-Methyl-1H-1,2,4-triazole-5-carboxylic acid|CS-0044072
      815588-93-3

    References

    • GLAXO GROUP LIMITED Patent: WO2009/147188 A1, 2009 ; Location in patent: Page/Page column 99 ; WO 2009/147188 A1

Safety Information

Download SDS
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   68.01
  • LogP   -0.4867
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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