About trimethyl(2H-triazol-4-ylmethyl)silane
trimethyl(2H-triazol-4-ylmethyl)silane (PubChem CID 125493843) has the molecular formula C6H13N3Si
and a molecular weight of 155.28 g/mol. Its IUPAC name is trimethyl(2H-triazol-4-ylmethyl)silane.
Molecular Properties
| Compound Name | trimethyl(2H-triazol-4-ylmethyl)silane |
| PubChem CID | 125493843 |
| Molecular Formula | C6H13N3Si |
| Molecular Weight | 155.28 g/mol |
| Exact Mass | 155.09 |
| IUPAC Name | trimethyl(2H-triazol-4-ylmethyl)silane |
| SMILES | C[Si](C)(C)Cc1cn[nH]n1 |
| InChI | InChI=1S/C6H13N3Si/c1-10(2,3)5-6-4-7-9-8-6/h4H,5H2,1-3H3,(H,7,8,9) |
| InChIKey | OWWNHAUNOVLLRH-UHFFFAOYSA-N |
| XLogP | 1.22 |
| TPSA | 41.57 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 10 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 155.28 |
| LogP ≤ 5 | 1.22 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of trimethyl(2H-triazol-4-ylmethyl)silane?
The IUPAC name of trimethyl(2H-triazol-4-ylmethyl)silane (CID 125493843) is trimethyl(2H-triazol-4-ylmethyl)silane.
What is the SMILES notation for trimethyl(2H-triazol-4-ylmethyl)silane?
The canonical SMILES for trimethyl(2H-triazol-4-ylmethyl)silane is C[Si](C)(C)Cc1cn[nH]n1.
What is the InChIKey of trimethyl(2H-triazol-4-ylmethyl)silane?
The InChIKey is OWWNHAUNOVLLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3Si/c1-10(2,3)5-6-4-7-9-8-6/h4H,5H2,1-3H3,(H,7,8,9).
What are the key properties of trimethyl(2H-triazol-4-ylmethyl)silane?
trimethyl(2H-triazol-4-ylmethyl)silane has a molecular weight of 155.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2H-triazol-4-ylmethyl)silane is sourced from PubChem (CID 125493843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).