1-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione

C14H10ClN3O2 — CID 3066027

IUPAC1-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2Cl)n1-c1ccccc1
InChIInChI=1S/C14H10ClN3O2/c15-11-8-4-5-9-12(11)18-14(20)16-13(19)17(18)10-6-2-1-3-7-10/h1-9H,(H,16,19,20)
InChIKeyQKKZCWVTUWUULQ-UHFFFAOYSA-N
MW287.71 g/mol
LogP1.97
Rot. Bonds2

About 1-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione

1-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione (PubChem CID 3066027) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione
PubChem CID3066027
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name1-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2Cl)n1-c1ccccc1
InChIInChI=1S/C14H10ClN3O2/c15-11-8-4-5-9-12(11)18-14(20)16-13(19)17(18)10-6-2-1-3-7-10/h1-9H,(H,16,19,20)
InChIKeyQKKZCWVTUWUULQ-UHFFFAOYSA-N
XLogP1.97
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione 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-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione (CID 3066027) is 1-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione is O=c1[nH]c(=O)n(-c2ccccc2Cl)n1-c1ccccc1.
What is the InChIKey of 1-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is QKKZCWVTUWUULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-11-8-4-5-9-12(11)18-14(20)16-13(19)17(18)10-6-2-1-3-7-10/h1-9H,(H,16,19,20).
What are the key properties of 1-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione?
1-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 287.71 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 3066027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).