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CS-W001157 4
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(5-Methyl-2H-[1,2,4]triazol-3-yl)-acetic acid

  • CAS No. 720706-28-5

  • Cat. No. CS-B0653
  • Molecule weight141.13
  • Purity≥95%
  • MDL No.MFCD12030561

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

(5-Methyl-2H-[1,2,4]triazol-3-yl)-acetic acid|CS-B0653

Structure of 720706-28-5

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General Information

  • CAS No. 720706-28-5
  • Cat. No. CS-B0653
  • Purity ≥95%
  • MDL No. MFCD12030561
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇N₃O₂
  • Molecular Weight 141.13
  • Synonym(s) 3-methyl-1H-1,2,4-Triazole-5-acetic acid
  • SMILES O=C(O)CC1=NC(C)=NN1

Description

This acetic acid derivative features a 5-methyl-2H-[1,2,4]triazol-3-yl moiety that imparts enhanced solubility and metabolic stability. The triazole ring enables robust conjugation in bioconjugation workflows, while the carboxylic acid group facilitates straightforward derivatization. This scaffold integrates readily into peptidomimetics and small-molecule probes requiring heterocyclic functionality under standard conditions.

Application

(5-Methyl-2H-[1,2,4]triazol-3-yl)-acetic acid serves as a versatile building block for medicinal chemistry and heterocyclic synthesis. Its triazolyl-acetic acid motif enables efficient conjugation via amide bond formation, offering enhanced metabolic stability and hydrogen-bonding capacity in drug candidates. The molecule exhibits good bench stability, solubility in common organic solvents, and compatibility with standard coupling reagents such as HATU or EDCI. Functions effectively in the construction of triazole-based pharmacophores and bioconjugates.

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Computational Chemistry Data

  • TPSA   78.87
  • LogP   -0.25978
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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