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

Molecule SVG Image

Properties Simple | Detailed

Formula C20H17N8O+
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 385.402 g·mol−1
Heat of Formation 521.5 ± 16.7 kJ·mol−1
Dipole Moment 6.76 ± 1.08 D
Volume 438.37 Å 3
Surface Area 405.53 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.15 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N