About cyclodeca[c]pyridazine
cyclodeca[c]pyridazine (PubChem CID 68549169) has the molecular formula C12H10N2
and a molecular weight of 182.23 g/mol. Its IUPAC name is cyclodeca[c]pyridazine.
Molecular Properties
| Compound Name | cyclodeca[c]pyridazine |
|---|
| PubChem CID | 68549169 |
|---|
| Molecular Formula | C12H10N2 |
|---|
| Molecular Weight | 182.23 g/mol |
|---|
| Exact Mass | 182.08 |
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| IUPAC Name | cyclodeca[c]pyridazine |
|---|
| SMILES | c1ccccc2nnccc2ccc1 |
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| InChI | InChI=1S/C12H10N2/c1-2-4-6-8-12-11(7-5-3-1)9-10-13-14-12/h1-10H/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,8-6+,11-7-,12-8+ |
|---|
| InChIKey | MFYPUDYVCBXYOL-OBLDPOIBSA-N |
|---|
| XLogP | 2.75 |
|---|
| TPSA | 25.78 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 14 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 182.23 |
| LogP ≤ 5 | 2.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of cyclodeca[c]pyridazine?
The IUPAC name of cyclodeca[c]pyridazine (CID 68549169) is cyclodeca[c]pyridazine.
What is the SMILES notation for cyclodeca[c]pyridazine?
The canonical SMILES for cyclodeca[c]pyridazine is c1ccccc2nnccc2ccc1.
What is the InChIKey of cyclodeca[c]pyridazine?
The InChIKey is MFYPUDYVCBXYOL-OBLDPOIBSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-4-6-8-12-11(7-5-3-1)9-10-13-14-12/h1-10H/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,8-6+,11-7-,12-8+.
What are the key properties of cyclodeca[c]pyridazine?
cyclodeca[c]pyridazine has a molecular weight of 182.23 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodeca[c]pyridazine is sourced from PubChem (CID 68549169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).