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 |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
N
|
|
|