3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine

C11H24N4O3SSi — CID 132554513

IUPAC3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine
SMILESCCO[Si](CCCSc1n[nH]c(N)n1)(OCC)OCC
InChIInChI=1S/C11H24N4O3SSi/c1-4-16-20(17-5-2,18-6-3)9-7-8-19-11-13-10(12)14-15-11/h4-9H2,1-3H3,(H3,12,13,14,15)
InChIKeyYQYLRHOZPZXJKN-UHFFFAOYSA-N
MW320.49 g/mol
LogP1.92
Rot. Bonds11

About 3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine

3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine (PubChem CID 132554513) has the molecular formula C11H24N4O3SSi and a molecular weight of 320.49 g/mol. Its IUPAC name is 3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine
PubChem CID132554513
Molecular FormulaC11H24N4O3SSi
Molecular Weight320.49 g/mol
Exact Mass320.13
IUPAC Name3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine
SMILESCCO[Si](CCCSc1n[nH]c(N)n1)(OCC)OCC
InChIInChI=1S/C11H24N4O3SSi/c1-4-16-20(17-5-2,18-6-3)9-7-8-19-11-13-10(12)14-15-11/h4-9H2,1-3H3,(H3,12,13,14,15)
InChIKeyYQYLRHOZPZXJKN-UHFFFAOYSA-N
XLogP1.92
TPSA95.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine (CID 132554513) is 3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine is CCO[Si](CCCSc1n[nH]c(N)n1)(OCC)OCC.
What is the InChIKey of 3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is YQYLRHOZPZXJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3SSi/c1-4-16-20(17-5-2,18-6-3)9-7-8-19-11-13-10(12)14-15-11/h4-9H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine?
3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 320.49 g/mol, XLogP of 1.92, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 132554513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).