C9H9N5OS — CID 107378459
5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide (PubChem CID 107378459) has the molecular formula C9H9N5OS and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide.
| Compound Name | 5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide |
|---|---|
| PubChem CID | 107378459 |
| Molecular Formula | C9H9N5OS |
| Molecular Weight | 235.27 g/mol |
| Exact Mass | 235.05 |
| IUPAC Name | 5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide |
| SMILES | NNc1cnc(C(=O)Nc2ccsc2)cn1 |
| InChI | InChI=1S/C9H9N5OS/c10-14-8-4-11-7(3-12-8)9(15)13-6-1-2-16-5-6/h1-5H,10H2,(H,12,14)(H,13,15) |
| InChIKey | CISTUNDUKGXGPM-UHFFFAOYSA-N |
| XLogP | 1.08 |
| TPSA | 92.93 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 235.27 |
| LogP ≤ 5 | 1.08 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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