3-({[4-(6-Methyl-2-Pyridinyl)-5-([1,2,4]Triazolo[1,5-A]Pyridin-6-Yl)-1,3-Thiazol-2-Yl]Amino}Methyl)Benzonitrile
Properties
Property | Value |
---|---|
Formula | C23H17N7S |
IUPAC Name | 3-[[[4-(6-methyl-2-pyridyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)thiazol-2-yl]amino]methyl]benzonitrile |
Molecular Mass | 423.493 g·mol−1 |
Heat of Formation | 799.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.40 ± 1.08 D |
Volume | 497.26 Å 3 |
Surface Area | 408.18 Å 2 |
HOMO Energy | -8.84 ± 0.55 eV |
LUMO Energy | 0.95 ± eV |
Point Group Symmetry | C1 |
InChIKey | CBDNDJPIMQLOAF-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C N |