C11H13N5O — CID 80913517
[6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80913517) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is [6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine.
| Compound Name | [6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine |
|---|---|
| PubChem CID | 80913517 |
| Molecular Formula | C11H13N5O |
| Molecular Weight | 231.26 g/mol |
| Exact Mass | 231.11 |
| IUPAC Name | [6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine |
| SMILES | NNc1cc(OCCc2ccccn2)ncn1 |
| InChI | InChI=1S/C11H13N5O/c12-16-10-7-11(15-8-14-10)17-6-4-9-3-1-2-5-13-9/h1-3,5,7-8H,4,6,12H2,(H,14,15,16) |
| InChIKey | XJSOHOOWPVPVQX-UHFFFAOYSA-N |
| XLogP | 0.78 |
| TPSA | 85.95 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 17 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 231.26 |
| LogP ≤ 5 | 0.78 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|