About 3-phenyl-6-pyridin-3-ylpyridazine
3-phenyl-6-pyridin-3-ylpyridazine (PubChem CID 12712239) has the molecular formula C15H11N3
and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-phenyl-6-pyridin-3-ylpyridazine.
Molecular Properties
| Compound Name | 3-phenyl-6-pyridin-3-ylpyridazine |
| PubChem CID | 12712239 |
| Molecular Formula | C15H11N3 |
| Molecular Weight | 233.27 g/mol |
| Exact Mass | 233.10 |
| IUPAC Name | 3-phenyl-6-pyridin-3-ylpyridazine |
| SMILES | c1ccc(-c2ccc(-c3cccnc3)nn2)cc1 |
| InChI | InChI=1S/C15H11N3/c1-2-5-12(6-3-1)14-8-9-15(18-17-14)13-7-4-10-16-11-13/h1-11H |
| InChIKey | JOUSQWIDZCDFNQ-UHFFFAOYSA-N |
| XLogP | 3.21 |
| TPSA | 38.67 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 233.27 |
| LogP ≤ 5 | 3.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 3-phenyl-6-pyridin-3-ylpyridazine?
The IUPAC name of 3-phenyl-6-pyridin-3-ylpyridazine (CID 12712239) is 3-phenyl-6-pyridin-3-ylpyridazine.
What is the SMILES notation for 3-phenyl-6-pyridin-3-ylpyridazine?
The canonical SMILES for 3-phenyl-6-pyridin-3-ylpyridazine is c1ccc(-c2ccc(-c3cccnc3)nn2)cc1.
What is the InChIKey of 3-phenyl-6-pyridin-3-ylpyridazine?
The InChIKey is JOUSQWIDZCDFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-2-5-12(6-3-1)14-8-9-15(18-17-14)13-7-4-10-16-11-13/h1-11H.
What are the key properties of 3-phenyl-6-pyridin-3-ylpyridazine?
3-phenyl-6-pyridin-3-ylpyridazine has a molecular weight of 233.27 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-pyridin-3-ylpyridazine is sourced from PubChem (CID 12712239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).