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CS-W001157 4
Total: USD 88.00

3-Methyl-1,2,4-triazole

  • CAS No. 7170-01-6

  • Cat. No. CS-M1664
  • Molecule weight83.09
  • Purity≥97%
  • MDL No.MFCD00233931

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

3-Methyl-1,2,4-triazole|CS-M1664

Structure of 7170-01-6

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General Information

  • CAS No. 7170-01-6
  • Cat. No. CS-M1664
  • Purity ≥97%
  • MDL No. MFCD00233931
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₅N₃
  • Molecular Weight 83.09
  • Synonym(s) 3-Methyl-4H-1,2,4-triazole; 3-Methyltriazole; 5-Methyl-1H-[1,2,4]triazole; 3-Methyl-1H-1,2,4-triazole
  • SMILES CC1=NN=CN1

Description

3-Methyl-1,2,4-triazole is a bench-stable, electron-rich heterocycle featuring a methyl-substituted triazole core. This nitrogen-rich scaffold integrates readily into medicinal chemistry and catalytic systems, offering enhanced solubility and predictable coordination behavior in transition metal complexes.

Application

3-Methyl-1,2,4-triazole serves as a versatile heterocyclic building block in medicinal chemistry and catalysis. Its moderate basicity and hydrogen-bonding capacity enable robust interactions in target binding. The methyl group enhances metabolic stability and facilitates downstream functionalization via electrophilic substitution or transition-metal-catalyzed coupling. Bench-stable and readily purified by recrystallization, it functions effectively in parallel synthesis and API scaffold development.

Synthesis

  • Route1
    • null|null
      624-84-0
    • ~89%
    • In-stock
      3-Methyl-1,2,4-triazole|CS-M1664
      7170-01-6

    References

    • US2006/293304 A1, ; Page/Page column 31 ;
  • Route2
    • In-stock
      Thioacetamide|CS-W018499
      62-55-5
    • null|null
      624-84-0
    • ~63%
    • In-stock
      3-Methyl-1,2,4-triazole|CS-M1664
      7170-01-6

    References

    • Collection of Czechoslovak Chemical Communications, , vol. 49, # 11 p. 2492 - 2495
  • Route3
    • 4-Amino-5-methyl-4H-[1,2,4]triazole-3-thiol|CS-0073434
      20939-15-5
    • ~51%
    • In-stock
      3-Methyl-1,2,4-triazole|CS-M1664
      7170-01-6

    References

    • Nucleosides, Nucleotides and Nucleic Acids, , vol. 20, # 1-2 p. 103 - 116

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   0.11312
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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