2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane

C15H23N3O2Si — CID 162718102

IUPAC2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ccccc1-c1ncn(COCC[Si](C)(C)C)n1
InChIInChI=1S/C15H23N3O2Si/c1-19-14-8-6-5-7-13(14)15-16-11-18(17-15)12-20-9-10-21(2,3)4/h5-8,11H,9-10,12H2,1-4H3
InChIKeyISCOJUMNYHBOQX-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.27
Rot. Bonds7

About 2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 162718102) has the molecular formula C15H23N3O2Si and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID162718102
Molecular FormulaC15H23N3O2Si
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ccccc1-c1ncn(COCC[Si](C)(C)C)n1
InChIInChI=1S/C15H23N3O2Si/c1-19-14-8-6-5-7-13(14)15-16-11-18(17-15)12-20-9-10-21(2,3)4/h5-8,11H,9-10,12H2,1-4H3
InChIKeyISCOJUMNYHBOQX-UHFFFAOYSA-N
XLogP3.27
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane (CID 162718102) is 2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane is COc1ccccc1-c1ncn(COCC[Si](C)(C)C)n1.
What is the InChIKey of 2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ISCOJUMNYHBOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2Si/c1-19-14-8-6-5-7-13(14)15-16-11-18(17-15)12-20-9-10-21(2,3)4/h5-8,11H,9-10,12H2,1-4H3.
What are the key properties of 2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 305.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 162718102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).