About 2-methyl-5-phenoxypyridazin-3-one
2-methyl-5-phenoxypyridazin-3-one (PubChem CID 10750618) has the molecular formula C11H10N2O2
and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-methyl-5-phenoxypyridazin-3-one.
Molecular Properties
| Compound Name | 2-methyl-5-phenoxypyridazin-3-one |
|---|
| PubChem CID | 10750618 |
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| Molecular Formula | C11H10N2O2 |
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| Molecular Weight | 202.21 g/mol |
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| Exact Mass | 202.07 |
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| IUPAC Name | 2-methyl-5-phenoxypyridazin-3-one |
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| SMILES | Cn1ncc(Oc2ccccc2)cc1=O |
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| InChI | InChI=1S/C11H10N2O2/c1-13-11(14)7-10(8-12-13)15-9-5-3-2-4-6-9/h2-8H,1H3 |
|---|
| InChIKey | WFWDUBAVRKRMCG-UHFFFAOYSA-N |
|---|
| XLogP | 1.57 |
|---|
| TPSA | 44.12 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 15 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 202.21 |
| LogP ≤ 5 | 1.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 2-methyl-5-phenoxypyridazin-3-one?
The IUPAC name of 2-methyl-5-phenoxypyridazin-3-one (CID 10750618) is 2-methyl-5-phenoxypyridazin-3-one.
What is the SMILES notation for 2-methyl-5-phenoxypyridazin-3-one?
The canonical SMILES for 2-methyl-5-phenoxypyridazin-3-one is Cn1ncc(Oc2ccccc2)cc1=O.
What is the InChIKey of 2-methyl-5-phenoxypyridazin-3-one?
The InChIKey is WFWDUBAVRKRMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-13-11(14)7-10(8-12-13)15-9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 2-methyl-5-phenoxypyridazin-3-one?
2-methyl-5-phenoxypyridazin-3-one has a molecular weight of 202.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenoxypyridazin-3-one is sourced from PubChem (CID 10750618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).