[1,2,4]Triazolo[3,4-A]Phthalazine

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Properties Simple | Detailed

Formula C9H6N4
IUPAC Name [1,2,4]triazolo[3,4-a]phthalazin-4-ium
Molecular Mass 170.171 g·mol−1
Heat of Formation 481.2 ± 16.7 kJ·mol−1
Dipole Moment 6.35 ± 1.08 D
Volume 189.71 Å 3
Surface Area 186.46 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2,4-triazolo(3,4-a)phthalazine (9ci)
  • 1,2,4-triazolo[3,4-a]phthalazine
  • s-triazolo(3,4-a)phthalazine
  • s-triazolo[3,4-a]phthalazine
  • {1,2,4-triazolo[3,4-a]phthalazine}
  • {s-triazolo[3,4-a]phthalazine}
CAS Number(s)
  • 234-80-0
InChIKey JVJPJKLSGUJUJK-UHFFFAOYSA-N
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Elements H C N