1H-Pyrazolo[3,4-D]Pyrimidine

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Properties Simple | Detailed

Formula C5H4N4
IUPAC Name pyrazolo[3,4-d]pyrimidin-1-ium-2-ide
Molecular Mass 120.112 g·mol−1
Heat of Formation 347.0 ± 16.7 kJ·mol−1
Dipole Moment 0.91 ± 1.08 D
Volume 132.81 Å 3
Surface Area 140.51 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-pyrazolo(3,4-d)pyrimidine
  • pyrazolo(3,4-d)pyrimidine
CAS Number(s)
  • 271-80-7
  • 35760-86-2
InChIKey QUKPALAWEPMWOS-UHFFFAOYSA-N
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Elements H C N