3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione

C15H16N4O3 — CID 135273255

IUPAC3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione
SMILESCc1ccc(-c2nn(C3CCC(=O)NC3=O)c(=O)n2C)cc1
InChIInChI=1S/C15H16N4O3/c1-9-3-5-10(6-4-9)13-17-19(15(22)18(13)2)11-7-8-12(20)16-14(11)21/h3-6,11H,7-8H2,1-2H3,(H,16,20,21)
InChIKeyGJBJIVNHSDOCLP-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.53
Rot. Bonds2

About 3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione

3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione (PubChem CID 135273255) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione
PubChem CID135273255
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione
SMILESCc1ccc(-c2nn(C3CCC(=O)NC3=O)c(=O)n2C)cc1
InChIInChI=1S/C15H16N4O3/c1-9-3-5-10(6-4-9)13-17-19(15(22)18(13)2)11-7-8-12(20)16-14(11)21/h3-6,11H,7-8H2,1-2H3,(H,16,20,21)
InChIKeyGJBJIVNHSDOCLP-UHFFFAOYSA-N
XLogP0.53
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-methyl-3-(3-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione
CID 135273161
3-(3-bromo-4-methyl-5-oxo-1,2,4-triazol-1-yl)piperidine-2,6-dione
CID 142409714
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 142596935
ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen
CID 171626775
3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione
CID 164596403
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 156836715
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione (CID 135273255) is 3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione is Cc1ccc(-c2nn(C3CCC(=O)NC3=O)c(=O)n2C)cc1.
What is the InChIKey of 3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione?
The InChIKey is GJBJIVNHSDOCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9-3-5-10(6-4-9)13-17-19(15(22)18(13)2)11-7-8-12(20)16-14(11)21/h3-6,11H,7-8H2,1-2H3,(H,16,20,21).
What are the key properties of 3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione?
3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione has a molecular weight of 300.32 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 135273255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).