1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione

C10H6Cl2N2O3 — CID 2274644

IUPAC1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(c2ccc(Cl)cc2Cl)C(=O)N1
InChIInChI=1S/C10H6Cl2N2O3/c11-5-1-2-7(6(12)3-5)14-9(16)4-8(15)13-10(14)17/h1-3H,4H2,(H,13,15,17)
InChIKeyPVQFQDKLSGQFMD-UHFFFAOYSA-N
MW273.07 g/mol
LogP1.97
Rot. Bonds1

About 1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione

1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 2274644) has the molecular formula C10H6Cl2N2O3 and a molecular weight of 273.07 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione
PubChem CID2274644
Molecular FormulaC10H6Cl2N2O3
Molecular Weight273.07 g/mol
Exact Mass271.98
IUPAC Name1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(c2ccc(Cl)cc2Cl)C(=O)N1
InChIInChI=1S/C10H6Cl2N2O3/c11-5-1-2-7(6(12)3-5)14-9(16)4-8(15)13-10(14)17/h1-3H,4H2,(H,13,15,17)
InChIKeyPVQFQDKLSGQFMD-UHFFFAOYSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione (CID 2274644) is 1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(c2ccc(Cl)cc2Cl)C(=O)N1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is PVQFQDKLSGQFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O3/c11-5-1-2-7(6(12)3-5)14-9(16)4-8(15)13-10(14)17/h1-3H,4H2,(H,13,15,17).
What are the key properties of 1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione?
1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 273.07 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2274644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).