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CS-W001157 4
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5-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one

  • CAS No. 40775-91-5

  • Cat. No. CS-0545148
  • Molecule weight204.11
  • Purity≥98%
  • MDL No.None

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

5-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one|CS-0545148

Structure of 40775-91-5

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General Information

  • CAS No. 40775-91-5
  • Cat. No. CS-0545148
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃F₃N₄O
  • Molecular Weight 204.11
  • Synonym(s) 5-(Trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
  • SMILES C1=C(N=C2N=CNN2C1=O)C(F)(F)F

Synthesis

  • Route1

    References

    • Phillips, Margaret A.; Gujjar, Ramesh; Malmquist, Nicholas A.; White, John; El Mazouni, Farah; Baldwin, Jeffrey; Rathod, Pradipsinh K. Journal of Medicinal Chemistry, 2008 , vol. 51, # 12 p. 3649 - 3653
  • Route2
    • 2,3-Diamino-6-(trifluoromethyl)-4(3H)-pyrimidinone|CS-0206513
      95095-71-9
    • null|null
      122-51-0
    • ~%
    • 5-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one|CS-0545148
      40775-91-5

    References

    • Hlavka, Joseph J.; Bitha, Panayota; Lin, Yang-i; Strohmeyer, Timothy Journal of Heterocyclic Chemistry, 1985 , vol. 22, p. 1317 - 1322

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   63.05
  • LogP   0.4364
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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