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

C10H10ClN3O2 — CID 1247929

IUPAC4-(3-chlorophenyl)-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)n(-c2cccc(Cl)c2)c(=O)n1C
InChIInChI=1S/C10H10ClN3O2/c1-12-9(15)14(10(16)13(12)2)8-5-3-4-7(11)6-8/h3-6H,1-2H3
InChIKeyXVHQOCSVKOQIAK-UHFFFAOYSA-N
MW239.66 g/mol
LogP0.53
Rot. Bonds1

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

4-(3-chlorophenyl)-1,2-dimethyl-1,2,4-triazolidine-3,5-dione (PubChem CID 1247929) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1,2-dimethyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
PubChem CID1247929
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name4-(3-chlorophenyl)-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)n(-c2cccc(Cl)c2)c(=O)n1C
InChIInChI=1S/C10H10ClN3O2/c1-12-9(15)14(10(16)13(12)2)8-5-3-4-7(11)6-8/h3-6H,1-2H3
InChIKeyXVHQOCSVKOQIAK-UHFFFAOYSA-N
XLogP0.53
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1,2-dimethyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-(3-chlorophenyl)-1,2-dimethyl-1,2,4-triazolidine-3,5-dione (CID 1247929) is 4-(3-chlorophenyl)-1,2-dimethyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-(3-chlorophenyl)-1,2-dimethyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-(3-chlorophenyl)-1,2-dimethyl-1,2,4-triazolidine-3,5-dione is Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)n1C.
What is the InChIKey of 4-(3-chlorophenyl)-1,2-dimethyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is XVHQOCSVKOQIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-12-9(15)14(10(16)13(12)2)8-5-3-4-7(11)6-8/h3-6H,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-1,2-dimethyl-1,2,4-triazolidine-3,5-dione?
4-(3-chlorophenyl)-1,2-dimethyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 239.66 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1,2-dimethyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 1247929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).