C13H20ClN3 — CID 105251419
[1-(5-chloro-2-pyridinyl)-2-cyclohexylethyl]hydrazine (PubChem CID 105251419) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is [1-(5-chloro-2-pyridinyl)-2-cyclohexylethyl]hydrazine.
| Compound Name | [1-(5-chloro-2-pyridinyl)-2-cyclohexylethyl]hydrazine |
|---|---|
| PubChem CID | 105251419 |
| Molecular Formula | C13H20ClN3 |
| Molecular Weight | 253.78 g/mol |
| Exact Mass | 253.13 |
| IUPAC Name | [1-(5-chloro-2-pyridinyl)-2-cyclohexylethyl]hydrazine |
| SMILES | NNC(CC1CCCCC1)c1ccc(Cl)cn1 |
| InChI | InChI=1S/C13H20ClN3/c14-11-6-7-12(16-9-11)13(17-15)8-10-4-2-1-3-5-10/h6-7,9-10,13,17H,1-5,8,15H2 |
| InChIKey | PDQBSRLZPNZQOD-UHFFFAOYSA-N |
| XLogP | 3.21 |
| TPSA | 50.94 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 253.78 |
| LogP ≤ 5 | 3.21 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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