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

C3H3N3Na2O3+2 — CID 18463321

IUPACdisodium;1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na+].[Na+]
InChIInChI=1S/C3H3N3O3.2Na/c7-1-4-2(8)6-3(9)5-1;;/h(H3,4,5,6,7,8,9);;/q;2*+1
InChIKeyMVJKWKYYJNCLIU-UHFFFAOYSA-N
MW175.05 g/mol
LogP-8.24
Rot. Bonds

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

disodium;1,3,5-triazinane-2,4,6-trione (PubChem CID 18463321) has the molecular formula C3H3N3Na2O3+2 and a molecular weight of 175.05 g/mol. Its IUPAC name is disodium;1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Namedisodium;1,3,5-triazinane-2,4,6-trione
PubChem CID18463321
Molecular FormulaC3H3N3Na2O3+2
Molecular Weight175.05 g/mol
Exact Mass175.00
IUPAC Namedisodium;1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na+].[Na+]
InChIInChI=1S/C3H3N3O3.2Na/c7-1-4-2(8)6-3(9)5-1;;/h(H3,4,5,6,7,8,9);;/q;2*+1
InChIKeyMVJKWKYYJNCLIU-UHFFFAOYSA-N
XLogP-8.24
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.05
LogP ≤ 5-8.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze disodium;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 disodium;1,3,5-triazinane-2,4,6-trione?
The IUPAC name of disodium;1,3,5-triazinane-2,4,6-trione (CID 18463321) is disodium;1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for disodium;1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for disodium;1,3,5-triazinane-2,4,6-trione is O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na+].[Na+].
What is the InChIKey of disodium;1,3,5-triazinane-2,4,6-trione?
The InChIKey is MVJKWKYYJNCLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.2Na/c7-1-4-2(8)6-3(9)5-1;;/h(H3,4,5,6,7,8,9);;/q;2*+1.
What are the key properties of disodium;1,3,5-triazinane-2,4,6-trione?
disodium;1,3,5-triazinane-2,4,6-trione has a molecular weight of 175.05 g/mol, XLogP of -8.24, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 18463321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).