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

C12H12N2O3 — CID 141433324

IUPAC1-ethyl-6-phenyl-1,3-diazinane-2,4,5-trione
SMILESCCN1C(=O)NC(=O)C(=O)C1c1ccccc1
InChIInChI=1S/C12H12N2O3/c1-2-14-9(8-6-4-3-5-7-8)10(15)11(16)13-12(14)17/h3-7,9H,2H2,1H3,(H,13,16,17)
InChIKeyAAMYYXJWRYXLRZ-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.87
Rot. Bonds2

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

1-ethyl-6-phenyl-1,3-diazinane-2,4,5-trione (PubChem CID 141433324) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-ethyl-6-phenyl-1,3-diazinane-2,4,5-trione.

Molecular Properties

Compound Name1-ethyl-6-phenyl-1,3-diazinane-2,4,5-trione
PubChem CID141433324
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-ethyl-6-phenyl-1,3-diazinane-2,4,5-trione
SMILESCCN1C(=O)NC(=O)C(=O)C1c1ccccc1
InChIInChI=1S/C12H12N2O3/c1-2-14-9(8-6-4-3-5-7-8)10(15)11(16)13-12(14)17/h3-7,9H,2H2,1H3,(H,13,16,17)
InChIKeyAAMYYXJWRYXLRZ-UHFFFAOYSA-N
XLogP0.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-phenyl-1,3-diazinane-2,4,5-trione?
The IUPAC name of 1-ethyl-6-phenyl-1,3-diazinane-2,4,5-trione (CID 141433324) is 1-ethyl-6-phenyl-1,3-diazinane-2,4,5-trione.
What is the SMILES notation for 1-ethyl-6-phenyl-1,3-diazinane-2,4,5-trione?
The canonical SMILES for 1-ethyl-6-phenyl-1,3-diazinane-2,4,5-trione is CCN1C(=O)NC(=O)C(=O)C1c1ccccc1.
What is the InChIKey of 1-ethyl-6-phenyl-1,3-diazinane-2,4,5-trione?
The InChIKey is AAMYYXJWRYXLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-14-9(8-6-4-3-5-7-8)10(15)11(16)13-12(14)17/h3-7,9H,2H2,1H3,(H,13,16,17).
What are the key properties of 1-ethyl-6-phenyl-1,3-diazinane-2,4,5-trione?
1-ethyl-6-phenyl-1,3-diazinane-2,4,5-trione has a molecular weight of 232.24 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-phenyl-1,3-diazinane-2,4,5-trione is sourced from PubChem (CID 141433324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).