About N-(4-methoxyphenyl)-6-phenylpyridazin-3-amine
N-(4-methoxyphenyl)-6-phenylpyridazin-3-amine (PubChem CID 71528646) has the molecular formula C17H15N3O
and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-phenylpyridazin-3-amine.
Molecular Properties
| Compound Name | N-(4-methoxyphenyl)-6-phenylpyridazin-3-amine |
| PubChem CID | 71528646 |
| Molecular Formula | C17H15N3O |
| Molecular Weight | 277.33 g/mol |
| Exact Mass | 277.12 |
| IUPAC Name | N-(4-methoxyphenyl)-6-phenylpyridazin-3-amine |
| SMILES | COc1ccc(Nc2ccc(-c3ccccc3)nn2)cc1 |
| InChI | InChI=1S/C17H15N3O/c1-21-15-9-7-14(8-10-15)18-17-12-11-16(19-20-17)13-5-3-2-4-6-13/h2-12H,1H3,(H,18,20) |
| InChIKey | UTQPIUFUGCHDPJ-UHFFFAOYSA-N |
| XLogP | 3.90 |
| TPSA | 47.04 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 277.33 |
| LogP ≤ 5 | 3.90 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-(4-methoxyphenyl)-6-phenylpyridazin-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-6-phenylpyridazin-3-amine (CID 71528646) is N-(4-methoxyphenyl)-6-phenylpyridazin-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-6-phenylpyridazin-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-6-phenylpyridazin-3-amine is COc1ccc(Nc2ccc(-c3ccccc3)nn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-phenylpyridazin-3-amine?
The InChIKey is UTQPIUFUGCHDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-21-15-9-7-14(8-10-15)18-17-12-11-16(19-20-17)13-5-3-2-4-6-13/h2-12H,1H3,(H,18,20).
What are the key properties of N-(4-methoxyphenyl)-6-phenylpyridazin-3-amine?
N-(4-methoxyphenyl)-6-phenylpyridazin-3-amine has a molecular weight of 277.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-phenylpyridazin-3-amine is sourced from PubChem (CID 71528646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).