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

C8H6ClN3O2 — CID 5305598

IUPAC4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C8H6ClN3O2/c9-5-1-3-6(4-2-5)12-7(13)10-11-8(12)14/h1-4H,(H,10,13)(H,11,14)
InChIKeySQLIARONYUYNQT-UHFFFAOYSA-N
MW211.61 g/mol
LogP0.51
Rot. Bonds1

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

4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 5305598) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione
PubChem CID5305598
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C8H6ClN3O2/c9-5-1-3-6(4-2-5)12-7(13)10-11-8(12)14/h1-4H,(H,10,13)(H,11,14)
InChIKeySQLIARONYUYNQT-UHFFFAOYSA-N
XLogP0.51
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenylurazole
CID 85229
4-(4-Chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione
CID 6539144
N-(4-Chlorophenyl)-N'-(hydroxymethylidene)carbamohydrazonic acid
CID 379568
1-Acetyl-4-(4-CL phenyl) semicarbazide
CID 86934
4-(4-Chlorophenyl)-1-phenylsemicarbazide
CID 4167003
4-(3-Chlorophenyl)-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
CID 1247929
4-(3-Chlorophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 2743225
4-(3,4-Dichlorophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 2824588
1-Acetyl-4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione
CID 388169
1-Butanoyl-4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione
CID 388170
4-(4-Chlorophenyl)-1,1-dimethylsemicarbazide
CID 3307285
4-(4-Chlorophenyl)semicarbazide hydrochloride
CID 2757858

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione (CID 5305598) is 4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione is O=c1[nH][nH]c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is SQLIARONYUYNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c9-5-1-3-6(4-2-5)12-7(13)10-11-8(12)14/h1-4H,(H,10,13)(H,11,14).
What are the key properties of 4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione?
4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 211.61 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 5305598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).