trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane

C9H19N3OSi — CID 162471260

IUPACtrimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
SMILESCc1ncn(COCC[Si](C)(C)C)n1
InChIInChI=1S/C9H19N3OSi/c1-9-10-7-12(11-9)8-13-5-6-14(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyNKOHXQBGQYZUCB-UHFFFAOYSA-N
MW213.36 g/mol
LogP1.90
Rot. Bonds5

About trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane

trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane (PubChem CID 162471260) has the molecular formula C9H19N3OSi and a molecular weight of 213.36 g/mol. Its IUPAC name is trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
PubChem CID162471260
Molecular FormulaC9H19N3OSi
Molecular Weight213.36 g/mol
Exact Mass213.13
IUPAC Nametrimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
SMILESCc1ncn(COCC[Si](C)(C)C)n1
InChIInChI=1S/C9H19N3OSi/c1-9-10-7-12(11-9)8-13-5-6-14(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyNKOHXQBGQYZUCB-UHFFFAOYSA-N
XLogP1.90
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 51.90
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-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde
CID 140830721
2-[(4-chloro-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156901511
2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 162718102
ethyl 2-diazo-2-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]acetate
CID 166028164
1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol
CID 90030095
trimethyl-[2-[(4-methyl-5-trimethylstannylpyrazolo[3,4-c]pyridin-2-yl)methoxy]ethyl]silane
CID 172600662
2-[(5-bromo-3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
CID 170992560
1-(2-trimethylsilylethoxymethyl)imidazol-4-amine
CID 58367438
trimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane
CID 70911861
[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
CID 171404429
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
ethyl 1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 69370657

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane (CID 162471260) is trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane is Cc1ncn(COCC[Si](C)(C)C)n1.
What is the InChIKey of trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane?
The InChIKey is NKOHXQBGQYZUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OSi/c1-9-10-7-12(11-9)8-13-5-6-14(2,3)4/h7H,5-6,8H2,1-4H3.
What are the key properties of trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane?
trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane has a molecular weight of 213.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane is sourced from PubChem (CID 162471260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).