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

C8H5Cl2N3O2 — CID 18755009

IUPAC4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H5Cl2N3O2/c9-4-1-5(10)3-6(2-4)13-7(14)11-12-8(13)15/h1-3H,(H,11,14)(H,12,15)
InChIKeyHCQSIVSKXQMCIF-UHFFFAOYSA-N
MW246.05 g/mol
LogP1.16
Rot. Bonds1

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

4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 18755009) has the molecular formula C8H5Cl2N3O2 and a molecular weight of 246.05 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione
PubChem CID18755009
Molecular FormulaC8H5Cl2N3O2
Molecular Weight246.05 g/mol
Exact Mass244.98
IUPAC Name4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH][nH]c(=O)n1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H5Cl2N3O2/c9-4-1-5(10)3-6(2-4)13-7(14)11-12-8(13)15/h1-3H,(H,11,14)(H,12,15)
InChIKeyHCQSIVSKXQMCIF-UHFFFAOYSA-N
XLogP1.16
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione (CID 18755009) is 4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione is O=c1[nH][nH]c(=O)n1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is HCQSIVSKXQMCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3O2/c9-4-1-5(10)3-6(2-4)13-7(14)11-12-8(13)15/h1-3H,(H,11,14)(H,12,15).
What are the key properties of 4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione?
4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 246.05 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 18755009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).