1-ethenyl-1,3,5-triazinane-2,4,6-trione

C5H5N3O3 — CID 23513449

IUPAC1-ethenyl-1,3,5-triazinane-2,4,6-trione
SMILESC=Cn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H5N3O3/c1-2-8-4(10)6-3(9)7-5(8)11/h2H,1H2,(H2,6,7,9,10,11)
InChIKeyWOYMLDFQQRAPJS-UHFFFAOYSA-N
MW155.11 g/mol
LogP-1.67
Rot. Bonds1

About 1-ethenyl-1,3,5-triazinane-2,4,6-trione

1-ethenyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 23513449) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 1-ethenyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-ethenyl-1,3,5-triazinane-2,4,6-trione
PubChem CID23513449
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name1-ethenyl-1,3,5-triazinane-2,4,6-trione
SMILESC=Cn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H5N3O3/c1-2-8-4(10)6-3(9)7-5(8)11/h2H,1H2,(H2,6,7,9,10,11)
InChIKeyWOYMLDFQQRAPJS-UHFFFAOYSA-N
XLogP-1.67
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethenyl-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 1-ethenyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-ethenyl-1,3,5-triazinane-2,4,6-trione (CID 23513449) is 1-ethenyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-ethenyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-ethenyl-1,3,5-triazinane-2,4,6-trione is C=Cn1c(=O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-ethenyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is WOYMLDFQQRAPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c1-2-8-4(10)6-3(9)7-5(8)11/h2H,1H2,(H2,6,7,9,10,11).
What are the key properties of 1-ethenyl-1,3,5-triazinane-2,4,6-trione?
1-ethenyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 155.11 g/mol, XLogP of -1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 23513449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).