2,5-Diethyl-7-(4-Thiomorpholinyl)[1,2,4]Triazolo[1,5-C]Pyrimidine

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Properties Simple | Detailed

Formula C13H20N5S+
IUPAC Name 2,5-diethyl-7-thiomorpholin-4-yl-[1,2,4]triazolo[5,1-f]pyrimidine
Molecular Mass 278.396 g·mol−1
Heat of Formation 246.0 ± 16.7 kJ·mol−1
Dipole Moment 1.98 ± 1.08 D
Volume 333.94 Å 3
Surface Area 300.56 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (1,2,4)triazolo(1,5-c)pyrimidine, 2,5-diethyl-7-(4-thiomorpholinyl)-
  • 2,5-diethyl-7-(4-thiomorpholino)-1,2,4-triazolo(1,5-c)pyrimidine
  • 2,5-diethyl-7-thiomorpholino-[1,2,4]triazolo[5,1-f]pyrimidine
  • r 836
  • r-836
CAS Number(s)
  • 94415-03-9
InChIKey REDGEKFPWREXGJ-UHFFFAOYSA-N
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