triethoxy(1,2,4-triazol-4-ylmethyl)silane

C9H19N3O3Si — CID 67387818

IUPACtriethoxy(1,2,4-triazol-4-ylmethyl)silane
SMILESCCO[Si](Cn1cnnc1)(OCC)OCC
InChIInChI=1S/C9H19N3O3Si/c1-4-13-16(14-5-2,15-6-3)9-12-7-10-11-8-12/h7-8H,4-6,9H2,1-3H3
InChIKeyIWCUMRUKQFKLIA-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.87
Rot. Bonds8

About triethoxy(1,2,4-triazol-4-ylmethyl)silane

triethoxy(1,2,4-triazol-4-ylmethyl)silane (PubChem CID 67387818) has the molecular formula C9H19N3O3Si and a molecular weight of 245.35 g/mol. Its IUPAC name is triethoxy(1,2,4-triazol-4-ylmethyl)silane.

Molecular Properties

Compound Nametriethoxy(1,2,4-triazol-4-ylmethyl)silane
PubChem CID67387818
Molecular FormulaC9H19N3O3Si
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Nametriethoxy(1,2,4-triazol-4-ylmethyl)silane
SMILESCCO[Si](Cn1cnnc1)(OCC)OCC
InChIInChI=1S/C9H19N3O3Si/c1-4-13-16(14-5-2,15-6-3)9-12-7-10-11-8-12/h7-8H,4-6,9H2,1-3H3
InChIKeyIWCUMRUKQFKLIA-UHFFFAOYSA-N
XLogP0.87
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.87
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 triethoxy(1,2,4-triazol-4-ylmethyl)silane?
The IUPAC name of triethoxy(1,2,4-triazol-4-ylmethyl)silane (CID 67387818) is triethoxy(1,2,4-triazol-4-ylmethyl)silane.
What is the SMILES notation for triethoxy(1,2,4-triazol-4-ylmethyl)silane?
The canonical SMILES for triethoxy(1,2,4-triazol-4-ylmethyl)silane is CCO[Si](Cn1cnnc1)(OCC)OCC.
What is the InChIKey of triethoxy(1,2,4-triazol-4-ylmethyl)silane?
The InChIKey is IWCUMRUKQFKLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3Si/c1-4-13-16(14-5-2,15-6-3)9-12-7-10-11-8-12/h7-8H,4-6,9H2,1-3H3.
What are the key properties of triethoxy(1,2,4-triazol-4-ylmethyl)silane?
triethoxy(1,2,4-triazol-4-ylmethyl)silane has a molecular weight of 245.35 g/mol, XLogP of 0.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(1,2,4-triazol-4-ylmethyl)silane is sourced from PubChem (CID 67387818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).