1,3-diphenyl-1,3-diazinane-2,4,6-trione

C16H12N2O3 — CID 2784952

IUPAC1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H12N2O3/c19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyFBQJKKPQBMSWEP-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.58
Rot. Bonds2

About 1,3-diphenyl-1,3-diazinane-2,4,6-trione

1,3-diphenyl-1,3-diazinane-2,4,6-trione (PubChem CID 2784952) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1,3-diphenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-diphenyl-1,3-diazinane-2,4,6-trione
PubChem CID2784952
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H12N2O3/c19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyFBQJKKPQBMSWEP-UHFFFAOYSA-N
XLogP2.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-diphenyl-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 1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-diphenyl-1,3-diazinane-2,4,6-trione (CID 2784952) is 1,3-diphenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-diphenyl-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is FBQJKKPQBMSWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of 1,3-diphenyl-1,3-diazinane-2,4,6-trione?
1,3-diphenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 280.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2784952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).