About 4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one (PubChem CID 3221) has the molecular formula C11H17N3O3
and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one.
Molecular Properties
| Compound Name | 4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one |
| PubChem CID | 3221 |
| Molecular Formula | C11H17N3O3 |
| Molecular Weight | 239.27 g/mol |
| Exact Mass | 239.13 |
| IUPAC Name | 4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one |
| SMILES | CCOc1c(N2CCOCC2)cnn(C)c1=O |
| InChI | InChI=1S/C11H17N3O3/c1-3-17-10-9(8-12-13(2)11(10)15)14-4-6-16-7-5-14/h8H,3-7H2,1-2H3 |
| InChIKey | URJQOOISAKEBKW-UHFFFAOYSA-N |
| XLogP | 0.02 |
| TPSA | 56.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 239.27 |
| LogP ≤ 5 | 0.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one (CID 3221) is 4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one is CCOc1c(N2CCOCC2)cnn(C)c1=O.
What is the InChIKey of 4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is URJQOOISAKEBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-17-10-9(8-12-13(2)11(10)15)14-4-6-16-7-5-14/h8H,3-7H2,1-2H3.
What are the key properties of 4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one?
4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 239.27 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 3221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).