C9H16N6O3S — CID 106340799
6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide (PubChem CID 106340799) has the molecular formula C9H16N6O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide.
| Compound Name | 6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide |
|---|---|
| PubChem CID | 106340799 |
| Molecular Formula | C9H16N6O3S |
| Molecular Weight | 288.33 g/mol |
| Exact Mass | 288.10 |
| IUPAC Name | 6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide |
| SMILES | CS(=O)(=O)NCCCNC(=O)c1cncc(NN)n1 |
| InChI | InChI=1S/C9H16N6O3S/c1-19(17,18)13-4-2-3-12-9(16)7-5-11-6-8(14-7)15-10/h5-6,13H,2-4,10H2,1H3,(H,12,16)(H,14,15) |
| InChIKey | UGFNVPSZASMRBB-UHFFFAOYSA-N |
| XLogP | -1.57 |
| TPSA | 139.10 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 19 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 288.33 |
| LogP ≤ 5 | -1.57 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 7 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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