trimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethyl]silane

C8H17N3OSi — CID 14875421

IUPACtrimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethyl]silane
SMILESC[Si](C)(C)CCOCn1cncn1
InChIInChI=1S/C8H17N3OSi/c1-13(2,3)5-4-12-8-11-7-9-6-10-11/h6-7H,4-5,8H2,1-3H3
InChIKeyDHWQQVXDRKXOCV-UHFFFAOYSA-N
MW199.33 g/mol
LogP1.59
Rot. Bonds5

About trimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethyl]silane

trimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethyl]silane (PubChem CID 14875421) has the molecular formula C8H17N3OSi and a molecular weight of 199.33 g/mol. Its IUPAC name is trimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethyl]silane
PubChem CID14875421
Molecular FormulaC8H17N3OSi
Molecular Weight199.33 g/mol
Exact Mass199.11
IUPAC Nametrimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethyl]silane
SMILESC[Si](C)(C)CCOCn1cncn1
InChIInChI=1S/C8H17N3OSi/c1-13(2,3)5-4-12-8-11-7-9-6-10-11/h6-7H,4-5,8H2,1-3H3
InChIKeyDHWQQVXDRKXOCV-UHFFFAOYSA-N
XLogP1.59
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.33
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-{[2-(Trimethylsilyl)ethoxy]methyl}-1H-1,2,4-triazol-3-amine
CID 67170439
3,5-dibromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-1,2,4-triazole
CID 90149322
2-[(5-Chloro-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
CID 21762087
Trimethyl-[2-(tetrazol-1-ylmethoxy)ethyl]silane
CID 85676354
5-chloro-1-(ethoxymethyl)-1H-1,2,4-triazole
CID 110205620
1-Ethoxymethyl-1,2,4-triazole
CID 3823094
Butyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane
CID 13474607
Dibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane
CID 13474636
Trimethyl-[1-(1,2,4-triazol-1-ylmethoxy)ethoxy]silane
CID 18329892
[Ethoxy(tetrazol-1-yl)methyl]-trimethylsilane
CID 19688460
1-(Butoxymethyl)-1,2,4-triazole
CID 20581916
Trimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethoxy]silane
CID 53903806

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethyl]silane?
The IUPAC name of trimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethyl]silane (CID 14875421) is trimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethyl]silane.
What is the SMILES notation for trimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethyl]silane?
The canonical SMILES for trimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethyl]silane is C[Si](C)(C)CCOCn1cncn1.
What is the InChIKey of trimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethyl]silane?
The InChIKey is DHWQQVXDRKXOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OSi/c1-13(2,3)5-4-12-8-11-7-9-6-10-11/h6-7H,4-5,8H2,1-3H3.
What are the key properties of trimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethyl]silane?
trimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethyl]silane has a molecular weight of 199.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethyl]silane is sourced from PubChem (CID 14875421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).