About 5,7-dimethylthieno[3,4-d]pyridazine
5,7-dimethylthieno[3,4-d]pyridazine (PubChem CID 22892613) has the molecular formula C8H8N2S
and a molecular weight of 164.23 g/mol. Its IUPAC name is 5,7-dimethylthieno[3,4-d]pyridazine.
Molecular Properties
| Compound Name | 5,7-dimethylthieno[3,4-d]pyridazine |
|---|
| PubChem CID | 22892613 |
|---|
| Molecular Formula | C8H8N2S |
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| Molecular Weight | 164.23 g/mol |
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| Exact Mass | 164.04 |
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| IUPAC Name | 5,7-dimethylthieno[3,4-d]pyridazine |
|---|
| SMILES | Cc1sc(C)c2cnncc12 |
|---|
| InChI | InChI=1S/C8H8N2S/c1-5-7-3-9-10-4-8(7)6(2)11-5/h3-4H,1-2H3 |
|---|
| InChIKey | HECWKKLSJKMUFF-UHFFFAOYSA-N |
|---|
| XLogP | 2.31 |
|---|
| TPSA | 25.78 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 164.23 |
| LogP ≤ 5 | 2.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 5,7-dimethylthieno[3,4-d]pyridazine?
The IUPAC name of 5,7-dimethylthieno[3,4-d]pyridazine (CID 22892613) is 5,7-dimethylthieno[3,4-d]pyridazine.
What is the SMILES notation for 5,7-dimethylthieno[3,4-d]pyridazine?
The canonical SMILES for 5,7-dimethylthieno[3,4-d]pyridazine is Cc1sc(C)c2cnncc12.
What is the InChIKey of 5,7-dimethylthieno[3,4-d]pyridazine?
The InChIKey is HECWKKLSJKMUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-5-7-3-9-10-4-8(7)6(2)11-5/h3-4H,1-2H3.
What are the key properties of 5,7-dimethylthieno[3,4-d]pyridazine?
5,7-dimethylthieno[3,4-d]pyridazine has a molecular weight of 164.23 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylthieno[3,4-d]pyridazine is sourced from PubChem (CID 22892613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).