2-Methyl-5-Piperazinyl-11H-(1,2,4)Triazolo(1,5-C)(1,3)Benzodiazepine

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Properties Simple | Detailed

Formula C15H18N6
IUPAC Name 2-methyl-5-piperazin-1-yl-11h-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine
Molecular Mass 282.344 g·mol−1
Heat of Formation 418.4 ± 16.7 kJ·mol−1
Dipole Moment 1.40 ± 1.08 D
Volume 335.42 Å 3
Surface Area 296.0 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-5-(1-piperazinyl)-11h-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine
  • cgs 19649a
  • cgs-19649a
CAS Number(s)
  • 124027-45-8
InChIKey DUALRMZWNYFYGR-UHFFFAOYSA-N
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Elements H C N