About 5,7-dimethylthieno[3,4-b]pyrazine
5,7-dimethylthieno[3,4-b]pyrazine (PubChem CID 59093643) has the molecular formula C8H8N2S
and a molecular weight of 164.23 g/mol. Its IUPAC name is 5,7-dimethylthieno[3,4-b]pyrazine.
Molecular Properties
| Compound Name | 5,7-dimethylthieno[3,4-b]pyrazine |
|---|
| PubChem CID | 59093643 |
|---|
| Molecular Formula | C8H8N2S |
|---|
| Molecular Weight | 164.23 g/mol |
|---|
| Exact Mass | 164.04 |
|---|
| IUPAC Name | 5,7-dimethylthieno[3,4-b]pyrazine |
|---|
| SMILES | Cc1sc(C)c2nccnc12 |
|---|
| InChI | InChI=1S/C8H8N2S/c1-5-7-8(6(2)11-5)10-4-3-9-7/h3-4H,1-2H3 |
|---|
| InChIKey | VOWRURTYZSDMPI-UHFFFAOYSA-N |
|---|
| XLogP | 2.31 |
|---|
| TPSA | 25.78 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 11 |
|---|
| 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-b]pyrazine?
The IUPAC name of 5,7-dimethylthieno[3,4-b]pyrazine (CID 59093643) is 5,7-dimethylthieno[3,4-b]pyrazine.
What is the SMILES notation for 5,7-dimethylthieno[3,4-b]pyrazine?
The canonical SMILES for 5,7-dimethylthieno[3,4-b]pyrazine is Cc1sc(C)c2nccnc12.
What is the InChIKey of 5,7-dimethylthieno[3,4-b]pyrazine?
The InChIKey is VOWRURTYZSDMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-5-7-8(6(2)11-5)10-4-3-9-7/h3-4H,1-2H3.
What are the key properties of 5,7-dimethylthieno[3,4-b]pyrazine?
5,7-dimethylthieno[3,4-b]pyrazine 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-b]pyrazine is sourced from PubChem (CID 59093643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).