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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 16681-69-9

  • Cat. No. CS-0106610
  • Purity≥98%
  • MDL No.None

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

1-Methyl-1H-1,2,3-triazole-4-carbaldehyde|CS-0106610

Structure of 16681-69-9

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General Information

  • CAS No. 16681-69-9
  • Cat. No. CS-0106610
  • Purity ≥98%
  • MDL No. None
  • 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 CN1C=C(C=O)N=N1

Description

1-Methyl-1H-1,2,3-triazole-4-carbaldehyde features a reactive aldehyde group tethered to a nitrogen-rich triazole scaffold, enabling direct conjugation in click chemistry and bioconjugation workflows. The methyl substitution enhances solubility and stability under standard conditions, while the electron-deficient carbonyl facilitates nucleophilic addition. This compound serves as a key building block for triazole-based ligands, probes, and functional materials.

Application

1-Methyl-1H-1,2,3-triazole-4-carbaldehyde serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling efficient access to triazolyl-containing heterocycles. The aldehyde functionality facilitates nucleophilic additions, reductive aminations, and coupling reactions, while the N-methylated triazole ring enhances metabolic stability and solubility. Its bench-stable nature and compatibility with common reaction conditions make it ideal for modular synthesis of bioactive scaffolds and functionalized ligands.

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

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