4-[3-(1H-Pyrrolo[2,3-B]Pyridin-3-Ylmethyl)[1,2,4]Triazolo[4,3-B][1,2,4]Triazin-6-Yl]Benzonitrile
Properties
| Property | Value |
|---|---|
| Formula | C19H12N8 |
| IUPAC Name | 4-[3-(1h-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzonitrile |
| Molecular Mass | 352.352 g·mol−1 |
| Heat of Formation | 943.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.60 ± 1.08 D |
| Volume | 403.18 Å 3 |
| Surface Area | 354.28 Å 2 |
| HOMO Energy | -9.10 ± 0.55 eV |
| LUMO Energy | 0.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JJWKCZCBEYPJAJ-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N |