C9H18N6S — CID 106446511
[(4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine (PubChem CID 106446511) has the molecular formula C9H18N6S and a molecular weight of 242.35 g/mol. Its IUPAC name is [(4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine.
| Compound Name | [(4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine |
|---|---|
| PubChem CID | 106446511 |
| Molecular Formula | C9H18N6S |
| Molecular Weight | 242.35 g/mol |
| Exact Mass | 242.13 |
| IUPAC Name | [(4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine |
| SMILES | CN1CCSCC1C(NN)c1cnnn1C |
| InChI | InChI=1S/C9H18N6S/c1-14-3-4-16-6-8(14)9(12-10)7-5-11-13-15(7)2/h5,8-9,12H,3-4,6,10H2,1-2H3 |
| InChIKey | SCSBDKWXGXQMRA-UHFFFAOYSA-N |
| XLogP | -0.63 |
| TPSA | 72.00 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 242.35 |
| LogP ≤ 5 | -0.63 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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