trisodium;1,3,5-triazanidacyclohexane-2,4,6-trione

C3N3Na3O3 — CID 15391162

IUPACtrisodium;1,3,5-triazanidacyclohexane-2,4,6-trione
SMILESO=c1[n-]c(=O)[n-]c(=O)[n-]1.[Na+].[Na+].[Na+]
InChIInChI=1S/C3H3N3O3.3Na/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;;/q;3*+1/p-3
InChIKeyHWASUGAGLDBXHL-UHFFFAOYSA-K
MW195.02 g/mol
LogP-12.35
Rot. Bonds

About trisodium;1,3,5-triazanidacyclohexane-2,4,6-trione

trisodium;1,3,5-triazanidacyclohexane-2,4,6-trione (PubChem CID 15391162) has the molecular formula C3N3Na3O3 and a molecular weight of 195.02 g/mol. Its IUPAC name is trisodium;1,3,5-triazanidacyclohexane-2,4,6-trione.

Molecular Properties

Compound Nametrisodium;1,3,5-triazanidacyclohexane-2,4,6-trione
PubChem CID15391162
Molecular FormulaC3N3Na3O3
Molecular Weight195.02 g/mol
Exact Mass194.96
IUPAC Nametrisodium;1,3,5-triazanidacyclohexane-2,4,6-trione
SMILESO=c1[n-]c(=O)[n-]c(=O)[n-]1.[Na+].[Na+].[Na+]
InChIInChI=1S/C3H3N3O3.3Na/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;;/q;3*+1/p-3
InChIKeyHWASUGAGLDBXHL-UHFFFAOYSA-K
XLogP-12.35
TPSA93.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.02
LogP ≤ 5-12.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze trisodium;1,3,5-triazanidacyclohexane-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 trisodium;1,3,5-triazanidacyclohexane-2,4,6-trione?
The IUPAC name of trisodium;1,3,5-triazanidacyclohexane-2,4,6-trione (CID 15391162) is trisodium;1,3,5-triazanidacyclohexane-2,4,6-trione.
What is the SMILES notation for trisodium;1,3,5-triazanidacyclohexane-2,4,6-trione?
The canonical SMILES for trisodium;1,3,5-triazanidacyclohexane-2,4,6-trione is O=c1[n-]c(=O)[n-]c(=O)[n-]1.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;1,3,5-triazanidacyclohexane-2,4,6-trione?
The InChIKey is HWASUGAGLDBXHL-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H3N3O3.3Na/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;;/q;3*+1/p-3.
What are the key properties of trisodium;1,3,5-triazanidacyclohexane-2,4,6-trione?
trisodium;1,3,5-triazanidacyclohexane-2,4,6-trione has a molecular weight of 195.02 g/mol, XLogP of -12.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;1,3,5-triazanidacyclohexane-2,4,6-trione is sourced from PubChem (CID 15391162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).