tert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane

C9H19N3OSi — CID 10242322

IUPACtert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCc1ncn[nH]1
InChIInChI=1S/C9H19N3OSi/c1-9(2,3)14(4,5)13-6-8-10-7-11-12-8/h7H,6H2,1-5H3,(H,10,11,12)
InChIKeyXKQMRIVZVLGFFZ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.33
Rot. Bonds3

About tert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane

tert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane (PubChem CID 10242322) has the molecular formula C9H19N3OSi and a molecular weight of 213.36 g/mol. Its IUPAC name is tert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane
PubChem CID10242322
Molecular FormulaC9H19N3OSi
Molecular Weight213.36 g/mol
Exact Mass213.13
IUPAC Nametert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCc1ncn[nH]1
InChIInChI=1S/C9H19N3OSi/c1-9(2,3)14(4,5)13-6-8-10-7-11-12-8/h7H,6H2,1-5H3,(H,10,11,12)
InChIKeyXKQMRIVZVLGFFZ-UHFFFAOYSA-N
XLogP2.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 18931509
6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-4-amine
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hydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium
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2-tert-butyl-5-fluoro-4-(1H-1,2,4-triazol-5-ylmethoxy)pyrimidine
CID 167558393
5-(2,2-dimethylpentyl)-1H-1,2,4-triazole
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tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane
CID 131749614
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-3-yl]methoxy]-dimethylsilane
CID 10690703
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine
CID 71429023
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane (CID 10242322) is tert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane is CC(C)(C)[Si](C)(C)OCc1ncn[nH]1.
What is the InChIKey of tert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane?
The InChIKey is XKQMRIVZVLGFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OSi/c1-9(2,3)14(4,5)13-6-8-10-7-11-12-8/h7H,6H2,1-5H3,(H,10,11,12).
What are the key properties of tert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane?
tert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane has a molecular weight of 213.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane is sourced from PubChem (CID 10242322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).