[1,3,4]Thiadiazolo[3,2-A]Pyrimidin-5-One, 2-Ethyl-7-(Piperazin-1-Yl)-

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Properties Simple | Detailed

Formula C11H15N5OS
IUPAC Name 2-ethyl-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-1,4-diium-5-one
Molecular Mass 265.335 g·mol−1
Heat of Formation 113.3 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 301.42 Å 3
Surface Area 277.49 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
Synonyms
  • 2-ethyl-7-(1-piperazinyl)-[1,3,4]thiadiazolo[2,3-b]pyrimidin-5-one
  • chemdiv2_004753
InChIKey WUYNDJNASMITGA-UHFFFAOYSA-N
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