[4-({4-[(5-Cyclopropyl-1H-Pyrazol-3-Yl)Amino]-2-Pyrimidinyl}Amino)Phenyl]Acetonitrile
Properties
| Property | Value |
|---|---|
| Formula | C18H17N7 |
| IUPAC Name | 2-[4-[[4-[(5-cyclopropylpyrazol-1-ium-5-ylium-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile |
| Molecular Mass | 331.374 g·mol−1 |
| Heat of Formation | 657.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.86 ± 1.08 D |
| Volume | 396.58 Å 3 |
| Surface Area | 371.11 Å 2 |
| HOMO Energy | -8.67 ± 0.55 eV |
| LUMO Energy | 1.47 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YRRRHSNOXWKVDL-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 |