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Home> Encyclopedia > Hot Product Listed 1   > 1,2,4-Triazolo[4,3-a]pyrazine,5,6,7,8-tetrahydro-7-methyl-3-(trifluoromethyl)-
794479-17-7 structure

1,2,4-Triazolo[4,3-a]pyrazine,5,6,7,8-tetrahydro-7-methyl-3-(trifluoromethyl)-

Iupac Name:7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CAS No.:794479-17-7
Molecular Weight:206.172
Molecular Formula:C7H9F3N4 (isomer)
Names and Identifiers
Synonyms

1,2,4-triazolo[4,3-a]pyrazine, 5,6,7,8-tetrahydro-7-methyl-3-(trifluoromethyl)- (9ci) 1,2,4-Triazolo[4,3-a]pyrazine,5,6,7,8-tetrahydro-7-methyl-3-(trifluoromethyl)-(9CI) 3-(trifluoromethyl)-7-methyl-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine 7-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine AK462357 AKOS027416196 SCHEMBL8171386 ZINC39105520

Inchi
InChI=1S/C7H9F3N4/c1-13-2-3-14-5(4-13)11-12-6(14)7(8,9)10/h2-4H2,1H3
InChkey
VPHMUTAGQKVKTG-UHFFFAOYSA-N
Canonical Smiles
CN1CCN2C(=NN=C2C(F)(F)F)C1
Computational chemical data
  • Molecular Weight:206.172g/mol
  • Molecular Formula:C7H9F3N4
  • Compound Is Canonicalized:True
  • Exact Mass:206.078
  • Monoisotopic Mass:206.078
  • Complexity:220
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:34A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjgYAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgBgAAAHQAIAAAAAADBAxQDEAcMEAAi AAIgJAAQgAsAAKAVQAAYAACASAAACAAQAAAACAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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