1-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione

C11H13N3O2 — CID 102582539

IUPAC1-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione
SMILESCc1cc(C)cc(-n2[nH]c(=O)n(C)c2=O)c1
InChIInChI=1S/C11H13N3O2/c1-7-4-8(2)6-9(5-7)14-11(16)13(3)10(15)12-14/h4-6H,1-3H3,(H,12,15)
InChIKeyLLTCYZKOAMLGNI-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.48
Rot. Bonds1

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

1-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione (PubChem CID 102582539) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione
PubChem CID102582539
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione
SMILESCc1cc(C)cc(-n2[nH]c(=O)n(C)c2=O)c1
InChIInChI=1S/C11H13N3O2/c1-7-4-8(2)6-9(5-7)14-11(16)13(3)10(15)12-14/h4-6H,1-3H3,(H,12,15)
InChIKeyLLTCYZKOAMLGNI-UHFFFAOYSA-N
XLogP0.48
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one
CID 66022107
3-(3,5-dimethylphenyl)-2H-phthalazine-1,4-dione
CID 166188406
5-(difluoromethyl)-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one
CID 66022109
1-(3,5-dimethylphenyl)-1,3-diazetidine-2,4-dione
CID 163822944
4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995030
4-amino-2-(3,5-dimethylphenyl)-5-propan-2-yl-1H-pyrazol-3-one
CID 103995029
2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 59705832
1-amino-4-methyl-1,2,4-triazolidine-3,5-dione
CID 123914684
4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one
CID 103995032
4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione
CID 22424260
6-(3,5-dimethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 753685
oxophosphanium;1,3,5-trimethylbenzene
CID 162088075

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione (CID 102582539) is 1-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione is Cc1cc(C)cc(-n2[nH]c(=O)n(C)c2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is LLTCYZKOAMLGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-4-8(2)6-9(5-7)14-11(16)13(3)10(15)12-14/h4-6H,1-3H3,(H,12,15).
What are the key properties of 1-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione?
1-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 219.24 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 102582539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).