4,6-dichloro-N-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine

C12H22Cl2N4O3Si — CID 14419237

IUPAC4,6-dichloro-N-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
SMILESCCO[Si](CCCNc1nc(Cl)nc(Cl)n1)(OCC)OCC
InChIInChI=1S/C12H22Cl2N4O3Si/c1-4-19-22(20-5-2,21-6-3)9-7-8-15-12-17-10(13)16-11(14)18-12/h4-9H2,1-3H3,(H,15,16,17,18)
InChIKeyKCTAALMKIQXSJD-UHFFFAOYSA-N
MW369.33 g/mol
LogP3.03
Rot. Bonds11

About 4,6-dichloro-N-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine (PubChem CID 14419237) has the molecular formula C12H22Cl2N4O3Si and a molecular weight of 369.33 g/mol. Its IUPAC name is 4,6-dichloro-N-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
PubChem CID14419237
Molecular FormulaC12H22Cl2N4O3Si
Molecular Weight369.33 g/mol
Exact Mass368.08
IUPAC Name4,6-dichloro-N-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
SMILESCCO[Si](CCCNc1nc(Cl)nc(Cl)n1)(OCC)OCC
InChIInChI=1S/C12H22Cl2N4O3Si/c1-4-19-22(20-5-2,21-6-3)9-7-8-15-12-17-10(13)16-11(14)18-12/h4-9H2,1-3H3,(H,15,16,17,18)
InChIKeyKCTAALMKIQXSJD-UHFFFAOYSA-N
XLogP3.03
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
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 4,6-dichloro-N-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine (CID 14419237) is 4,6-dichloro-N-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine is CCO[Si](CCCNc1nc(Cl)nc(Cl)n1)(OCC)OCC.
What is the InChIKey of 4,6-dichloro-N-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is KCTAALMKIQXSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Cl2N4O3Si/c1-4-19-22(20-5-2,21-6-3)9-7-8-15-12-17-10(13)16-11(14)18-12/h4-9H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4,6-dichloro-N-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 369.33 g/mol, XLogP of 3.03, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 14419237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).