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CS-W001157 4
Total: USD 88.00

4-Methyl-4H-1,2,4-triazole

  • CAS No. 10570-40-8

  • Cat. No. CS-0040088
  • Purity≥95%
  • MDL No.None

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

4-Methyl-4H-1,2,4-triazole|CS-0040088

Structure of 10570-40-8

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General Information

  • CAS No. 10570-40-8
  • Cat. No. CS-0040088
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₅N₃
  • Molecular Weight 83.09
  • Synonym(s) 1-methyl-1,3,4-triazole
  • SMILES CN1C=NN=C1

Description

4-Methyl-4H-1,2,4-triazole is a bench-stable heterocyclic compound featuring a methyl-substituted triazole core. This nitrogen-rich scaffold exhibits strong hydrogen-bonding capacity and enhanced solubility in polar solvents. It serves as a key building block in medicinal chemistry, integrating into bioactive molecules through its ability to form directional intermolecular interactions.

Application

4-Methyl-4H-1,2,4-triazole serves as a versatile building block in medicinal and synthetic chemistry, enabling the construction of bioactive heterocycles through established coupling and functionalization protocols. Its stability under standard reaction conditions and favorable solubility profile facilitate straightforward purification and integration into complex molecular architectures, making it a reliable scaffold for drug discovery and process development workflows.

Synthesis

  • Route1
    • In-stock
      1,2,4-Triazole|CS-D1150
      288-88-0
    • null|null
      74-88-4
    • ~7%
    • 1-Methyl-1,2,4-triazole Efinaconazole Impurity|CS-0460291
      6086-21-1
    • In-stock
      4-Methyl-4H-1,2,4-triazole|CS-0040088
      10570-40-8

    References

    • Begtrup, Mikael; Larsen, Peter Acta Chemica Scandinavica, 1990 , vol. 44, # 10 p. 1050 - 1057
  • Route2
    • In-stock
      1,2,4-Triazole|CS-D1150
      288-88-0
    • null|null
      74-88-4
    • ~%
    • In-stock
      4-Methyl-4H-1,2,4-triazole|CS-0040088
      10570-40-8

    References

    • Ueng, Shau-Hua; Fensterbank, Louis; Lacote, Emmanuel; Malacria, Max; Curran, Dennis P. Organic Letters, 2010 , vol. 12, # 13 p. 3002 - 3005
  • Route3
    • In-stock
      1,2,4-Triazole|CS-D1150
      288-88-0
    • null|null
      77-78-1
    • ~0%
    • 1-Methyl-1,2,4-triazole Efinaconazole Impurity|CS-0460291
      6086-21-1
    • In-stock
      4-Methyl-4H-1,2,4-triazole|CS-0040088
      10570-40-8

    References

    • Begtrup, Mikael; Larsen, Peter Acta Chemica Scandinavica, 1990 , vol. 44, # 10 p. 1050 - 1057

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

Quality Control

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Computational Chemistry Data

  • TPSA   30.71
  • LogP   -0.1849
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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