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5-Methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol

  • CAS No. 40775-78-8

  • Cat. No. CS-0038493
  • Purity≥98%
  • MDL No.None

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

5-Methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol|CS-0038493

Structure of 40775-78-8

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General Information

  • CAS No. 40775-78-8
  • Cat. No. CS-0038493
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈N₄OS
  • Molecular Weight 196.23
  • Synonym(s) 7-Hydroxy-5-methyl-2-methylthio-s-triazolo[1,5-a]pyrimidine
  • SMILES CC1=NC2=NC(=NN2C(=C1)O)SC

Description

5-Methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol features a fused triazolopyrimidine core with strategic substituents enhancing electron density at the heterocyclic scaffold. The methylthio group imparts favorable lipophilicity and metabolic stability, while the hydroxyl functionality enables hydrogen bonding in molecular recognition events. This compound serves as a key building block for kinase inhibitors and antiviral agents, offering robust bench stability under standard conditions.

Application

5-Methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical research. Its core structure enables reliable functionalization at the C7 position, with the methylthio group offering a handle for oxidative transformations. The compound exhibits good bench stability and facilitates efficient coupling reactions, making it suitable for constructing complex triazolopyrimidine scaffolds in high-throughput synthesis workflows.

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   63.31
  • LogP   0.86022
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   1

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