5-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one
C11H19N3O4 — CID 103218378
Data last refreshed: (MolForge compound catalog, from PubChem)
About 5-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one
5-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one (PubChem CID 103218378) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one.
Molecular Properties
| Compound Name | 5-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one |
|---|---|
| PubChem CID | 103218378 |
| Molecular Formula | C11H19N3O4 |
| Molecular Weight | 257.29 g/mol |
| Exact Mass | 257.14 |
| IUPAC Name | 5-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridazin-3-one |
| SMILES | COCCOCCOCCn1ncc(N)cc1=O |
| InChI | InChI=1S/C11H19N3O4/c1-16-4-5-18-7-6-17-3-2-14-11(15)8-10(12)9-13-14/h8-9H,2-7,12H2,1H3 |
| InChIKey | YZOJYOPDUFJQNW-UHFFFAOYSA-N |
| XLogP | -0.49 |
| TPSA | 88.60 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 257.29 |
| LogP ≤ 5 | -0.49 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
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Sources
- PubChem CID 103218378 — identifiers, structure, computed properties (public domain)
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