2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine

C12H26N6O3Si — CID 121008101

IUPAC2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCO[Si](CCCNc1nc(N)nc(N)n1)(OCC)OCC
InChIInChI=1S/C12H26N6O3Si/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,(H5,13,14,15,16,17,18)
InChIKeyBXKPESPLRZOHNF-UHFFFAOYSA-N
MW330.47 g/mol
LogP0.89
Rot. Bonds11

About 2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine

2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 121008101) has the molecular formula C12H26N6O3Si and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID121008101
Molecular FormulaC12H26N6O3Si
Molecular Weight330.47 g/mol
Exact Mass330.18
IUPAC Name2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCO[Si](CCCNc1nc(N)nc(N)n1)(OCC)OCC
InChIInChI=1S/C12H26N6O3Si/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,(H5,13,14,15,16,17,18)
InChIKeyBXKPESPLRZOHNF-UHFFFAOYSA-N
XLogP0.89
TPSA130.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine (CID 121008101) is 2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine is CCO[Si](CCCNc1nc(N)nc(N)n1)(OCC)OCC.
What is the InChIKey of 2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BXKPESPLRZOHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N6O3Si/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,(H5,13,14,15,16,17,18).
What are the key properties of 2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 330.47 g/mol, XLogP of 0.89, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 121008101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).