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

C3H3N3Na3O3+3 — CID 21115434

IUPACtrisodium;1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]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
InChIKeyHWASUGAGLDBXHL-UHFFFAOYSA-N
MW198.05 g/mol
LogP-11.24
Rot. Bonds

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

trisodium;1,3,5-triazinane-2,4,6-trione (PubChem CID 21115434) has the molecular formula C3H3N3Na3O3+3 and a molecular weight of 198.05 g/mol. Its IUPAC name is trisodium;1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Nametrisodium;1,3,5-triazinane-2,4,6-trione
PubChem CID21115434
Molecular FormulaC3H3N3Na3O3+3
Molecular Weight198.05 g/mol
Exact Mass197.99
IUPAC Nametrisodium;1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]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
InChIKeyHWASUGAGLDBXHL-UHFFFAOYSA-N
XLogP-11.24
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.05
LogP ≤ 5-11.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze trisodium;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 trisodium;1,3,5-triazinane-2,4,6-trione?
The IUPAC name of trisodium;1,3,5-triazinane-2,4,6-trione (CID 21115434) is trisodium;1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for trisodium;1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for trisodium;1,3,5-triazinane-2,4,6-trione is O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;1,3,5-triazinane-2,4,6-trione?
The InChIKey is HWASUGAGLDBXHL-UHFFFAOYSA-N. 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.
What are the key properties of trisodium;1,3,5-triazinane-2,4,6-trione?
trisodium;1,3,5-triazinane-2,4,6-trione has a molecular weight of 198.05 g/mol, XLogP of -11.24, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 21115434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).