5-ethyl-1,3-diazinane-2,4,6-trione

C6H8N2O3 — CID 17292

IUPAC5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H8N2O3/c1-2-3-4(9)7-6(11)8-5(3)10/h3H,2H2,1H3,(H2,7,8,9,10,11)
InChIKeyFMTLDVACNZDTQL-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.62
Rot. Bonds1

About 5-ethyl-1,3-diazinane-2,4,6-trione

5-ethyl-1,3-diazinane-2,4,6-trione (PubChem CID 17292) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 5-ethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-1,3-diazinane-2,4,6-trione
PubChem CID17292
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H8N2O3/c1-2-3-4(9)7-6(11)8-5(3)10/h3H,2H2,1H3,(H2,7,8,9,10,11)
InChIKeyFMTLDVACNZDTQL-UHFFFAOYSA-N
XLogP-0.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-ethyl-1,3-diazinane-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 5-ethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-1,3-diazinane-2,4,6-trione (CID 17292) is 5-ethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-1,3-diazinane-2,4,6-trione is CCC1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is FMTLDVACNZDTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-2-3-4(9)7-6(11)8-5(3)10/h3H,2H2,1H3,(H2,7,8,9,10,11).
What are the key properties of 5-ethyl-1,3-diazinane-2,4,6-trione?
5-ethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 156.14 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 17292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).