C13H17N3S — CID 105196515
[2-(5-ethylthiophen-2-yl)-1-pyridin-4-ylethyl]hydrazine (PubChem CID 105196515) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is [2-(5-ethylthiophen-2-yl)-1-pyridin-4-ylethyl]hydrazine.
| Compound Name | [2-(5-ethylthiophen-2-yl)-1-pyridin-4-ylethyl]hydrazine |
|---|---|
| PubChem CID | 105196515 |
| Molecular Formula | C13H17N3S |
| Molecular Weight | 247.37 g/mol |
| Exact Mass | 247.11 |
| IUPAC Name | [2-(5-ethylthiophen-2-yl)-1-pyridin-4-ylethyl]hydrazine |
| SMILES | CCc1ccc(CC(NN)c2ccncc2)s1 |
| InChI | InChI=1S/C13H17N3S/c1-2-11-3-4-12(17-11)9-13(16-14)10-5-7-15-8-6-10/h3-8,13,16H,2,9,14H2,1H3 |
| InChIKey | DVHWPTFLBDZJBC-UHFFFAOYSA-N |
| XLogP | 2.45 |
| TPSA | 50.94 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 17 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 247.37 |
| LogP ≤ 5 | 2.45 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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