1,3,5-tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione

C15H27N3O9 — CID 67067045

IUPAC1,3,5-tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(CCOCCO)c(=O)n(CCOCCO)c(=O)n1CCOCCO
InChIInChI=1S/C15H27N3O9/c19-4-10-25-7-1-16-13(22)17(2-8-26-11-5-20)15(24)18(14(16)23)3-9-27-12-6-21/h19-21H,1-12H2
InChIKeyKMXZYCIXGHELCW-UHFFFAOYSA-N
MW393.39 g/mol
LogP-3.80
Rot. Bonds15

About 1,3,5-tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione

1,3,5-tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 67067045) has the molecular formula C15H27N3O9 and a molecular weight of 393.39 g/mol. Its IUPAC name is 1,3,5-tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID67067045
Molecular FormulaC15H27N3O9
Molecular Weight393.39 g/mol
Exact Mass393.17
IUPAC Name1,3,5-tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(CCOCCO)c(=O)n(CCOCCO)c(=O)n1CCOCCO
InChIInChI=1S/C15H27N3O9/c19-4-10-25-7-1-16-13(22)17(2-8-26-11-5-20)15(24)18(14(16)23)3-9-27-12-6-21/h19-21H,1-12H2
InChIKeyKMXZYCIXGHELCW-UHFFFAOYSA-N
XLogP-3.80
TPSA154.38 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.39
LogP ≤ 5-3.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,3,5-tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione 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 1,3,5-tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione (CID 67067045) is 1,3,5-tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione is O=c1n(CCOCCO)c(=O)n(CCOCCO)c(=O)n1CCOCCO.
What is the InChIKey of 1,3,5-tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is KMXZYCIXGHELCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O9/c19-4-10-25-7-1-16-13(22)17(2-8-26-11-5-20)15(24)18(14(16)23)3-9-27-12-6-21/h19-21H,1-12H2.
What are the key properties of 1,3,5-tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 393.39 g/mol, XLogP of -3.80, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 67067045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).