N-{3-[(4-Anilino-8-Cyanopyrazolo[1,5-A][1,3,5]Triazin-2-Yl)Amino]Phenyl}Acetamide

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Formula C20H16N8O
IUPAC Name n-[3-[(4-anilino-8-cyano-7h-pyrazolo[1,5-a][1,3,5]triazin-5-ium-7-ylium-2-yl)amino]phenyl]acetamide
Molecular Mass 384.394 g·mol−1
Heat of Formation 516.3 ± 16.7 kJ·mol−1
Dipole Moment 11.99 ± 1.08 D
Volume 445.96 Å 3
Surface Area 367.34 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
Synonyms
  • n-[3-[[8-cyano-4-(phenylamino)-2-pyrazolo[1,5-e][1,3,5]triazinyl]amino]phenyl]acetamide
  • n-[3-[[8-cyano-4-(phenylamino)pyrazolo[1,5-e][1,3,5]triazin-2-yl]amino]phenyl]ethanamide
InChIKey QVKXQLGRDOMAGC-UHFFFAOYSA-N
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