3-(3-benzyl-5-phenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane

C24H33N3O3Si — CID 142449329

IUPAC3-(3-benzyl-5-phenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane
SMILESCCO[Si](CCCn1nc(Cc2ccccc2)nc1-c1ccccc1)(OCC)OCC
InChIInChI=1S/C24H33N3O3Si/c1-4-28-31(29-5-2,30-6-3)19-13-18-27-24(22-16-11-8-12-17-22)25-23(26-27)20-21-14-9-7-10-15-21/h7-12,14-17H,4-6,13,18-20H2,1-3H3
InChIKeyYFNMKRIRVOBPEZ-UHFFFAOYSA-N
MW439.63 g/mol
LogP4.97
Rot. Bonds13

About 3-(3-benzyl-5-phenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane

3-(3-benzyl-5-phenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane (PubChem CID 142449329) has the molecular formula C24H33N3O3Si and a molecular weight of 439.63 g/mol. Its IUPAC name is 3-(3-benzyl-5-phenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane.

Molecular Properties

Compound Name3-(3-benzyl-5-phenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane
PubChem CID142449329
Molecular FormulaC24H33N3O3Si
Molecular Weight439.63 g/mol
Exact Mass439.23
IUPAC Name3-(3-benzyl-5-phenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane
SMILESCCO[Si](CCCn1nc(Cc2ccccc2)nc1-c1ccccc1)(OCC)OCC
InChIInChI=1S/C24H33N3O3Si/c1-4-28-31(29-5-2,30-6-3)19-13-18-27-24(22-16-11-8-12-17-22)25-23(26-27)20-21-14-9-7-10-15-21/h7-12,14-17H,4-6,13,18-20H2,1-3H3
InChIKeyYFNMKRIRVOBPEZ-UHFFFAOYSA-N
XLogP4.97
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.63
LogP ≤ 54.97
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-benzyl-5-phenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane?
The IUPAC name of 3-(3-benzyl-5-phenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane (CID 142449329) is 3-(3-benzyl-5-phenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane.
What is the SMILES notation for 3-(3-benzyl-5-phenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane?
The canonical SMILES for 3-(3-benzyl-5-phenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane is CCO[Si](CCCn1nc(Cc2ccccc2)nc1-c1ccccc1)(OCC)OCC.
What is the InChIKey of 3-(3-benzyl-5-phenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane?
The InChIKey is YFNMKRIRVOBPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3Si/c1-4-28-31(29-5-2,30-6-3)19-13-18-27-24(22-16-11-8-12-17-22)25-23(26-27)20-21-14-9-7-10-15-21/h7-12,14-17H,4-6,13,18-20H2,1-3H3.
What are the key properties of 3-(3-benzyl-5-phenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane?
3-(3-benzyl-5-phenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane has a molecular weight of 439.63 g/mol, XLogP of 4.97, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-5-phenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane is sourced from PubChem (CID 142449329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).