5-Methyl-8-(2-Methyl-2-Propanyl)-7,8-Dihydro-6H-Pyrazolo[1,5-A]Pyrrolo[3,2-E]Pyrimidine-3-Carbonitrile

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Properties Simple | Detailed

Formula C14H17N5
IUPAC Name 3-tert-butyl-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carbonitrile
Molecular Mass 255.318 g·mol−1
Heat of Formation 372.3 ± 16.7 kJ·mol−1
Dipole Moment 11.40 ± 1.08 D
Volume 316.8 Å 3
Surface Area 281.85 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry Cs
Synonyms
  • 6h-pyrazolo(1,5-a)pyrrolo(3,2-e)pyrimidine-3-carbonitrile, 8-(1,1-dimethylethyl)-7,8-dihydro-5-methyl-
  • 8-tert-butyl-6,7-dihydropyrrolo(3,2-e)-5-methylpyrazolo(1,5-a)pyrimidine-3-carbonitrile
  • lp 805
  • lp-805
CAS Number(s)
  • 129909-32-6
InChIKey HTAVCQFFXDQIBD-UHFFFAOYSA-N
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Elements H C N