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CS-W001157 4
Total: USD 88.00

3-Cyclopropyl-1H-1,2,4-triazole

  • CAS No. 1211390-33-8

  • Cat. No. CS-0207980
  • Molecule weight109.13
  • Purity≥97%
  • MDL No.MFCD13188610

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

3-Cyclopropyl-1H-1,2,4-triazole|CS-0207980

Structure of 1211390-33-8

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General Information

  • CAS No. 1211390-33-8
  • Cat. No. CS-0207980
  • Purity ≥97%
  • MDL No. MFCD13188610
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇N₃
  • Molecular Weight 109.13
  • Synonym(s) 5-cyclopropyl-1H-1,2,4-triazole
  • SMILES C1CC1C2=NNC=N2

Description

3-Cyclopropyl-1H-1,2,4-triazole features a rigid triazole core bearing a cyclopropyl substituent, enhancing its lipophilicity and metabolic stability. This configuration supports integration into bioactive scaffolds, where the heterocyclic ring acts as a hydrogen bond acceptor and π-system for target engagement. The compound exhibits bench-stable handling under standard conditions.

Application

3-Cyclopropyl-1H-1,2,4-triazole serves as a versatile heterocyclic building block in medicinal chemistry, offering enhanced metabolic stability and favorable physicochemical properties. Its cyclopropyl substituent imparts improved lipophilicity and conformational rigidity, enabling efficient incorporation into bioactive scaffolds. The triazole core facilitates copper-catalyzed azide-alkyne cycloaddition (CuAAC) for modular library synthesis and exhibits robust bench stability, ease of purification, and compatibility with diverse functional groups.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   0.6821
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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