3-({5-[(4-Amino-4-Methyl-1-Piperidinyl)Methyl]Pyrrolo[2,1-F][1,2,4]Triazin-4-Yl}Amino)-5-Bromophenol
Properties
| Property | Value |
|---|---|
| Formula | C19H23BrN6O |
| IUPAC Name | 3-[[5-[(4-amino-4-methyl-1-piperidyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-bromo-phenol |
| Molecular Mass | 431.330 g·mol−1 |
| Heat of Formation | 188.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.96 ± 1.08 D |
| Volume | 459.53 Å 3 |
| Surface Area | 369.01 Å 2 |
| HOMO Energy | -8.62 ± 0.55 eV |
| LUMO Energy | 2.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DBMRETDBROLHGL-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C Br O N |