C12H14N4O3 — CID 80917602
[6-(2,6-dimethoxyphenoxy)pyrazin-2-yl]hydrazine (PubChem CID 80917602) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is [6-(2,6-dimethoxyphenoxy)pyrazin-2-yl]hydrazine.
| Compound Name | [6-(2,6-dimethoxyphenoxy)pyrazin-2-yl]hydrazine |
|---|---|
| PubChem CID | 80917602 |
| Molecular Formula | C12H14N4O3 |
| Molecular Weight | 262.27 g/mol |
| Exact Mass | 262.11 |
| IUPAC Name | [6-(2,6-dimethoxyphenoxy)pyrazin-2-yl]hydrazine |
| SMILES | COc1cccc(OC)c1Oc1cncc(NN)n1 |
| InChI | InChI=1S/C12H14N4O3/c1-17-8-4-3-5-9(18-2)12(8)19-11-7-14-6-10(15-11)16-13/h3-7H,13H2,1-2H3,(H,15,16) |
| InChIKey | JVHCPVLWZWSXLC-UHFFFAOYSA-N |
| XLogP | 1.57 |
| TPSA | 91.52 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 19 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 262.27 |
| LogP ≤ 5 | 1.57 |
| 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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