3-(3-ethyl-5-phenyl-1,2,4-triazol-1-yl)propyl-trimethoxysilane

C16H25N3O3Si — CID 142449325

IUPAC3-(3-ethyl-5-phenyl-1,2,4-triazol-1-yl)propyl-trimethoxysilane
SMILESCCc1nc(-c2ccccc2)n(CCC[Si](OC)(OC)OC)n1
InChIInChI=1S/C16H25N3O3Si/c1-5-15-17-16(14-10-7-6-8-11-14)19(18-15)12-9-13-23(20-2,21-3)22-4/h6-8,10-11H,5,9,12-13H2,1-4H3
InChIKeyKCDSIWQVZVUQPE-UHFFFAOYSA-N
MW335.48 g/mol
LogP2.78
Rot. Bonds9

About 3-(3-ethyl-5-phenyl-1,2,4-triazol-1-yl)propyl-trimethoxysilane

3-(3-ethyl-5-phenyl-1,2,4-triazol-1-yl)propyl-trimethoxysilane (PubChem CID 142449325) has the molecular formula C16H25N3O3Si and a molecular weight of 335.48 g/mol. Its IUPAC name is 3-(3-ethyl-5-phenyl-1,2,4-triazol-1-yl)propyl-trimethoxysilane.

Molecular Properties

Compound Name3-(3-ethyl-5-phenyl-1,2,4-triazol-1-yl)propyl-trimethoxysilane
PubChem CID142449325
Molecular FormulaC16H25N3O3Si
Molecular Weight335.48 g/mol
Exact Mass335.17
IUPAC Name3-(3-ethyl-5-phenyl-1,2,4-triazol-1-yl)propyl-trimethoxysilane
SMILESCCc1nc(-c2ccccc2)n(CCC[Si](OC)(OC)OC)n1
InChIInChI=1S/C16H25N3O3Si/c1-5-15-17-16(14-10-7-6-8-11-14)19(18-15)12-9-13-23(20-2,21-3)22-4/h6-8,10-11H,5,9,12-13H2,1-4H3
InChIKeyKCDSIWQVZVUQPE-UHFFFAOYSA-N
XLogP2.78
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3-(3-ethyl-5-phenyl-1,2,4-triazol-1-yl)propyl-trimethoxysilane?
The IUPAC name of 3-(3-ethyl-5-phenyl-1,2,4-triazol-1-yl)propyl-trimethoxysilane (CID 142449325) is 3-(3-ethyl-5-phenyl-1,2,4-triazol-1-yl)propyl-trimethoxysilane.
What is the SMILES notation for 3-(3-ethyl-5-phenyl-1,2,4-triazol-1-yl)propyl-trimethoxysilane?
The canonical SMILES for 3-(3-ethyl-5-phenyl-1,2,4-triazol-1-yl)propyl-trimethoxysilane is CCc1nc(-c2ccccc2)n(CCC[Si](OC)(OC)OC)n1.
What is the InChIKey of 3-(3-ethyl-5-phenyl-1,2,4-triazol-1-yl)propyl-trimethoxysilane?
The InChIKey is KCDSIWQVZVUQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3Si/c1-5-15-17-16(14-10-7-6-8-11-14)19(18-15)12-9-13-23(20-2,21-3)22-4/h6-8,10-11H,5,9,12-13H2,1-4H3.
What are the key properties of 3-(3-ethyl-5-phenyl-1,2,4-triazol-1-yl)propyl-trimethoxysilane?
3-(3-ethyl-5-phenyl-1,2,4-triazol-1-yl)propyl-trimethoxysilane has a molecular weight of 335.48 g/mol, XLogP of 2.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-5-phenyl-1,2,4-triazol-1-yl)propyl-trimethoxysilane is sourced from PubChem (CID 142449325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).