4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione

C11H13N3O2 — CID 125492272

IUPAC4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione
SMILESCC(C)c1ccc(-n2c(=O)[nH][nH]c2=O)cc1
InChIInChI=1S/C11H13N3O2/c1-7(2)8-3-5-9(6-4-8)14-10(15)12-13-11(14)16/h3-7H,1-2H3,(H,12,15)(H,13,16)
InChIKeyLMYNHSXLOKJGGT-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.98
Rot. Bonds2

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

4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 125492272) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione
PubChem CID125492272
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione
SMILESCC(C)c1ccc(-n2c(=O)[nH][nH]c2=O)cc1
InChIInChI=1S/C11H13N3O2/c1-7(2)8-3-5-9(6-4-8)14-10(15)12-13-11(14)16/h3-7H,1-2H3,(H,12,15)(H,13,16)
InChIKeyLMYNHSXLOKJGGT-UHFFFAOYSA-N
XLogP0.98
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione
CID 5305598
3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione
CID 168823245
4-[(4-propan-2-ylphenyl)methyl]-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62897282
4-(4-propan-2-yloxyphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62898037
2-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
CID 60723547
4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione
CID 18755009
2,6-dimethyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
CID 4530144
ethane;1-(4-propan-2-ylphenyl)pyridin-2-one
CID 167489788
1-(4-propan-2-ylphenyl)pyrrolidin-3-one
CID 43314770
3-(4-propan-2-ylphenyl)-2H-phthalazine-1,4-dione
CID 21106573
2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 3473471
2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole
CID 53416298

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione (CID 125492272) is 4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione is CC(C)c1ccc(-n2c(=O)[nH][nH]c2=O)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is LMYNHSXLOKJGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(2)8-3-5-9(6-4-8)14-10(15)12-13-11(14)16/h3-7H,1-2H3,(H,12,15)(H,13,16).
What are the key properties of 4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione?
4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 219.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 125492272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).