About 2-(3,6-dimethylpyrazin-2-yl)ethynyl-trimethylsilane
2-(3,6-dimethylpyrazin-2-yl)ethynyl-trimethylsilane (PubChem CID 13081747) has the molecular formula C11H16N2Si
and a molecular weight of 204.35 g/mol. Its IUPAC name is 2-(3,6-dimethylpyrazin-2-yl)ethynyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-(3,6-dimethylpyrazin-2-yl)ethynyl-trimethylsilane |
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| PubChem CID | 13081747 |
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| Molecular Formula | C11H16N2Si |
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| Molecular Weight | 204.35 g/mol |
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| Exact Mass | 204.11 |
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| IUPAC Name | 2-(3,6-dimethylpyrazin-2-yl)ethynyl-trimethylsilane |
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| SMILES | Cc1cnc(C)c(C#C[Si](C)(C)C)n1 |
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| InChI | InChI=1S/C11H16N2Si/c1-9-8-12-10(2)11(13-9)6-7-14(3,4)5/h8H,1-5H3 |
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| InChIKey | XBBJDAVIJORBQN-UHFFFAOYSA-N |
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| XLogP | 2.32 |
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| TPSA | 25.78 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 14 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 204.35 |
| LogP ≤ 5 | 2.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(3,6-dimethylpyrazin-2-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(3,6-dimethylpyrazin-2-yl)ethynyl-trimethylsilane (CID 13081747) is 2-(3,6-dimethylpyrazin-2-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(3,6-dimethylpyrazin-2-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(3,6-dimethylpyrazin-2-yl)ethynyl-trimethylsilane is Cc1cnc(C)c(C#C[Si](C)(C)C)n1.
What is the InChIKey of 2-(3,6-dimethylpyrazin-2-yl)ethynyl-trimethylsilane?
The InChIKey is XBBJDAVIJORBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2Si/c1-9-8-12-10(2)11(13-9)6-7-14(3,4)5/h8H,1-5H3.
What are the key properties of 2-(3,6-dimethylpyrazin-2-yl)ethynyl-trimethylsilane?
2-(3,6-dimethylpyrazin-2-yl)ethynyl-trimethylsilane has a molecular weight of 204.35 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethylpyrazin-2-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 13081747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).