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CS-W001157 4
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5-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

  • CAS No. 723286-87-1

  • Cat. No. CS-0455231
  • Purity≥98%
  • MDL No.None

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

5-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine|CS-0455231

Structure of 723286-87-1

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General Information

  • CAS No. 723286-87-1
  • Cat. No. CS-0455231
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉F₃N₄
  • Molecular Weight 206.17
  • Synonym(s) 3-(trifluoromethyl)-5,6,7,8-tetrahydro-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine
  • SMILES CC1CNCC2=NN=C(C(F)(F)F)N12

Synthesis

  • Route1
    • 5-Methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine|CS-0455230
      723286-86-0
    • ~10%
    • 5-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine|CS-0455231
      723286-87-1

    References

    • Kim, Dooseop; Kowalchick, Jennifer E.; Brockunier, Linda L.; Parmee, Emma R.; Eiermann, George J.; Fisher, Michael H.; He, Huaibing; Leiting, Barbara; Lyons, Kathryn; Scapin, Giovanna; Patel, Sangita B.; Petrov, Aleksandr; Pryor, Kelly Ann D.; Roy, Ranabir Sinha; Wu, Joseph K.; Zhang, Xiaoping; Wyvratt, Matthew J.; Zhang, Bei B.; Zhu, Lan; Thornberry, Nancy A.; Weber, Ann E. Journal of Medicinal Chemistry, 2008 , vol. 51, # 3 p. 589 - 602

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   42.74
  • LogP   0.9611
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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