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

C23H31N3O3Si — CID 142449324

IUPAC3-(3,5-diphenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane
SMILESCCO[Si](CCCn1nc(-c2ccccc2)nc1-c1ccccc1)(OCC)OCC
InChIInChI=1S/C23H31N3O3Si/c1-4-27-30(28-5-2,29-6-3)19-13-18-26-23(21-16-11-8-12-17-21)24-22(25-26)20-14-9-7-10-15-20/h7-12,14-17H,4-6,13,18-19H2,1-3H3
InChIKeyVGHKIXTUJGSCQU-UHFFFAOYSA-N
MW425.61 g/mol
LogP5.05
Rot. Bonds12

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

3-(3,5-diphenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane (PubChem CID 142449324) has the molecular formula C23H31N3O3Si and a molecular weight of 425.61 g/mol. Its IUPAC name is 3-(3,5-diphenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane.

Molecular Properties

Compound Name3-(3,5-diphenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane
PubChem CID142449324
Molecular FormulaC23H31N3O3Si
Molecular Weight425.61 g/mol
Exact Mass425.21
IUPAC Name3-(3,5-diphenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane
SMILESCCO[Si](CCCn1nc(-c2ccccc2)nc1-c1ccccc1)(OCC)OCC
InChIInChI=1S/C23H31N3O3Si/c1-4-27-30(28-5-2,29-6-3)19-13-18-26-23(21-16-11-8-12-17-21)24-22(25-26)20-14-9-7-10-15-20/h7-12,14-17H,4-6,13,18-19H2,1-3H3
InChIKeyVGHKIXTUJGSCQU-UHFFFAOYSA-N
XLogP5.05
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.61
LogP ≤ 55.05
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-(3,5-diphenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane?
The IUPAC name of 3-(3,5-diphenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane (CID 142449324) is 3-(3,5-diphenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane.
What is the SMILES notation for 3-(3,5-diphenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane?
The canonical SMILES for 3-(3,5-diphenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane is CCO[Si](CCCn1nc(-c2ccccc2)nc1-c1ccccc1)(OCC)OCC.
What is the InChIKey of 3-(3,5-diphenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane?
The InChIKey is VGHKIXTUJGSCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3Si/c1-4-27-30(28-5-2,29-6-3)19-13-18-26-23(21-16-11-8-12-17-21)24-22(25-26)20-14-9-7-10-15-20/h7-12,14-17H,4-6,13,18-19H2,1-3H3.
What are the key properties of 3-(3,5-diphenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane?
3-(3,5-diphenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane has a molecular weight of 425.61 g/mol, XLogP of 5.05, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diphenyl-1,2,4-triazol-1-yl)propyl-triethoxysilane is sourced from PubChem (CID 142449324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).