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CS-W001157 4
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1-Methyl-1H-1,2,4-triazole-3-carbaldehyde

  • CAS No. 126748-87-6

  • Cat. No. CS-0148810
  • Purity≥97%
  • MDL No.MFCD24685442

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

1-Methyl-1H-1,2,4-triazole-3-carbaldehyde|CS-0148810

Structure of 126748-87-6

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General Information

  • CAS No. 126748-87-6
  • Cat. No. CS-0148810
  • Purity ≥97%
  • MDL No. MFCD24685442
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅N₃O
  • Molecular Weight 111.10
  • Synonym(s) None
  • SMILES O=CC1=NN(C)C=N1

Description

1-Methyl-1H-1,2,4-triazole-3-carbaldehyde features a reactive aldehyde group tethered to a nitrogen-rich triazole core, enabling direct coupling in heterocyclic synthesis. This bench-stable scaffold integrates readily into bioactive molecule design, particularly where polar, electron-deficient motifs enhance target affinity or metabolic stability.

Application

1-Methyl-1H-1,2,4-triazole-3-carbaldehyde serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. Its aldehyde functionality enables efficient imine formation, reductive amination, and coupling reactions with amines or hydrazines. The triazole core provides metabolic stability and hydrogen-bonding capacity, enhancing target affinity in bioactive molecules. Bench-stable and readily purified by column chromatography, it functions reliably in multi-step syntheses of kinase inhibitors, antifungal agents, and other pharmaceutical scaffolds.

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   47.78
  • LogP   -0.3724
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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