[ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane

C8H17N3OSi — CID 54140106

IUPAC[ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane
SMILESCCOC(n1cncn1)[Si](C)(C)C
InChIInChI=1S/C8H17N3OSi/c1-5-12-8(13(2,3)4)11-7-9-6-10-11/h6-8H,5H2,1-4H3
InChIKeyOAMHTPKKNRSRIL-UHFFFAOYSA-N
MW199.33 g/mol
LogP1.69
Rot. Bonds4

About [ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane

[ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane (PubChem CID 54140106) has the molecular formula C8H17N3OSi and a molecular weight of 199.33 g/mol. Its IUPAC name is [ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane.

Molecular Properties

Compound Name[ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane
PubChem CID54140106
Molecular FormulaC8H17N3OSi
Molecular Weight199.33 g/mol
Exact Mass199.11
IUPAC Name[ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane
SMILESCCOC(n1cncn1)[Si](C)(C)C
InChIInChI=1S/C8H17N3OSi/c1-5-12-8(13(2,3)4)11-7-9-6-10-11/h6-8H,5H2,1-4H3
InChIKeyOAMHTPKKNRSRIL-UHFFFAOYSA-N
XLogP1.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane?
The IUPAC name of [ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane (CID 54140106) is [ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane.
What is the SMILES notation for [ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane?
The canonical SMILES for [ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane is CCOC(n1cncn1)[Si](C)(C)C.
What is the InChIKey of [ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane?
The InChIKey is OAMHTPKKNRSRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OSi/c1-5-12-8(13(2,3)4)11-7-9-6-10-11/h6-8H,5H2,1-4H3.
What are the key properties of [ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane?
[ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane has a molecular weight of 199.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane is sourced from PubChem (CID 54140106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).