7-Chloro-3-Methyl-3H-1,2,3-Triazolo(4,5-D)Pyrimidine

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Properties Simple | Detailed

Formula C5H4ClN5
IUPAC Name 7-chloro-3-methyl-triazolo[4,5-d]pyrimidine
Molecular Mass 169.572 g·mol−1
Heat of Formation 402.6 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 172.05 Å 3
Surface Area 175.21 Å 2
HOMO Energy -10.46 ± 0.55 eV
LUMO Energy 1.38 ± eV
Point Group Symmetry Cs
Synonyms
  • 7-chloro-3-methyl-[1,2,3]triazolo[4,5-e]pyrimidine
  • 7-chloro-3-methyl-triazolo[4,5-e]pyrimidine
  • 7-chloro-3-methyltriazolo[4,5-e]pyrimidine
  • sdccgmls-0065637.p001
InChIKey DRLGKTNNLQRDHQ-UHFFFAOYSA-N
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Elements H C N Cl