HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86661663Generated: October 30, 2026
7-(2-methoxyphenyl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;2,2,2-trifluoroacetic acid
https://huagongshe.com/en/chemical/86661663
Identifiers & Physical Properties
| Molecular formula | C28H31F3N6O4 |
|---|
| Average molar mass | 572.6 g/mol |
|---|
| SMILES | COc1ccccc1-c1ccc2cnc(Nc3ccc(OCCN4CCN(C)CC4)cc3)nn12.O=C(O)C(F)(F)F |
|---|
| InChIKey | YKQIGCRAARXYID-UHFFFAOYSA-N |
|---|
| PubChem CID | 86661663 |
|---|
Chemical & Physical Properties
| Topological polar surface area | 104 |
|---|
| Hydrogen bond donors | 2 |
|---|
| Hydrogen bond acceptors | 12 |
|---|
| Rotatable bonds | 8 |
|---|
| Heavy atoms | 41 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 694 |
|---|
![7-(2-methoxyphenyl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;2,2,2-trifluoroacetic acid molecular structure](/img/chemical/86661663.png)