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6,7-Dihydro-2H-pyrrolo[2,1-c][1,2,4]triazol-3(5H)-one

  • CAS No. 116056-07-6

  • Cat. No. CS-0526719
  • Molecule weight125.13
  • Purity≥95%
  • MDL No.MFCD15203777

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

6,7-Dihydro-2H-pyrrolo[2,1-c][1,2,4]triazol-3(5H)-one|CS-0526719

Structure of 116056-07-6

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General Information

  • CAS No. 116056-07-6
  • Cat. No. CS-0526719
  • Purity ≥95%
  • MDL No. MFCD15203777
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇N₃O
  • Molecular Weight 125.13
  • Synonym(s) 3H-Pyrrolo[2,1-c]-1,2,4-triazol-3-one,2,5,6,7-tetrahydro-(9CI)
  • SMILES O=C1N2C(CCC2)=NN1

Description

6,7-Dihydro-2H-pyrrolo[2,1-c][1,2,4]triazol-3(5H)-one features a fused heterocyclic core with defined nitrogen positions enabling integration into bioactive scaffolds. This bench-stable, moisture-tolerant compound serves as a key intermediate in the synthesis of triazolopyrrolidine derivatives for medicinal chemistry applications.

Application

6,7-Dihydro-2H-pyrrolo[2,1-c][1,2,4]triazol-3(5H)-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to triazolopyrrolidine scaffolds. Its stable, bench-ready structure facilitates functionalization at multiple sites and exhibits favorable solubility and purification characteristics. The compound functions effectively in coupling reactions and as a core motif for targeted library synthesis.

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
Precautionary Statements : P264-P280-P302+P352-P362

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Computational Chemistry Data

  • TPSA   50.68
  • LogP   -0.4824
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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