8-Tert-Butyl-7,8-Dihydro-5-Methyl-6H-Pyrrolo[3,2-E]-S-Triazolo[1,5-A]Pyrimidine

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Properties Simple | Detailed

Formula C12H17N5
IUPAC Name 3-tert-butyl-7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
Molecular Mass 231.297 g·mol−1
Heat of Formation 288.8 ± 16.7 kJ·mol−1
Dipole Moment 8.35 ± 1.08 D
Volume 285.26 Å 3
Surface Area 253.07 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-pyrrolo(3,2-e)(1,2,4)triazolo(1,5-a)pyrimidine, 8-(1,1-dimethylethyl)-7,8-dihydro-5-methyl-
  • 8-tert-butyl-7,8-dihydro-5-methyl-6h-pyrrolo(3,2-e)-s-triazolo(1,5-a)pyrimidine
  • bumepidil
  • cs 611
  • cs-611
CAS Number(s)
  • 62052-97-5
InChIKey NJJPSFAJAKVSST-UHFFFAOYSA-N
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Elements H C N