C17H18N4SSi — CID 171037095
[2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine (PubChem CID 171037095) has the molecular formula C17H18N4SSi and a molecular weight of 338.51 g/mol. Its IUPAC name is [2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine.
| Compound Name | [2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine |
|---|---|
| PubChem CID | 171037095 |
| Molecular Formula | C17H18N4SSi |
| Molecular Weight | 338.51 g/mol |
| Exact Mass | 338.10 |
| IUPAC Name | [2-thiophen-2-yl-6-(2-trimethylsilylethynyl)quinazolin-4-yl]hydrazine |
| SMILES | C[Si](C)(C)C#Cc1ccc2nc(-c3cccs3)nc(NN)c2c1 |
| InChI | InChI=1S/C17H18N4SSi/c1-23(2,3)10-8-12-6-7-14-13(11-12)16(21-18)20-17(19-14)15-5-4-9-22-15/h4-7,9,11H,18H2,1-3H3,(H,19,20,21) |
| InChIKey | QMTOJZZBMPNHNT-UHFFFAOYSA-N |
| XLogP | 3.87 |
| TPSA | 63.83 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 23 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 338.51 |
| LogP ≤ 5 | 3.87 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|