2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium

C9H16N3O6+ — CID 163462674

IUPAC2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium
SMILESO=c1n(CCO)c(=O)n(CC[OH2+])c(=O)n1CCO
InChIInChI=1S/C9H15N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h13-15H,1-6H2/p+1
InChIKeyBPXVHIRIPLPOPT-UHFFFAOYSA-O
MW262.24 g/mol
LogP-4.12
Rot. Bonds6

About 2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium

2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium (PubChem CID 163462674) has the molecular formula C9H16N3O6+ and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium.

Molecular Properties

Compound Name2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium
PubChem CID163462674
Molecular FormulaC9H16N3O6+
Molecular Weight262.24 g/mol
Exact Mass262.10
IUPAC Name2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium
SMILESO=c1n(CCO)c(=O)n(CC[OH2+])c(=O)n1CCO
InChIInChI=1S/C9H15N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h13-15H,1-6H2/p+1
InChIKeyBPXVHIRIPLPOPT-UHFFFAOYSA-O
XLogP-4.12
TPSA129.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 5-4.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium 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-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium?
The IUPAC name of 2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium (CID 163462674) is 2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium.
What is the SMILES notation for 2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium?
The canonical SMILES for 2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium is O=c1n(CCO)c(=O)n(CC[OH2+])c(=O)n1CCO.
What is the InChIKey of 2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium?
The InChIKey is BPXVHIRIPLPOPT-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H15N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h13-15H,1-6H2/p+1.
What are the key properties of 2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium?
2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium has a molecular weight of 262.24 g/mol, XLogP of -4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium is sourced from PubChem (CID 163462674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).