1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid

C13H20N4O4 — CID 114427547

IUPAC1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(c2nn(C)c(=O)n(C)c2=O)C(C(=O)O)C1
InChIInChI=1S/C13H20N4O4/c1-4-8-5-6-17(9(7-8)12(19)20)10-11(18)15(2)13(21)16(3)14-10/h8-9H,4-7H2,1-3H3,(H,19,20)
InChIKeyGNCYUMVJEXRQRD-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.44
Rot. Bonds3

About 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid

1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114427547) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid
PubChem CID114427547
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(c2nn(C)c(=O)n(C)c2=O)C(C(=O)O)C1
InChIInChI=1S/C13H20N4O4/c1-4-8-5-6-17(9(7-8)12(19)20)10-11(18)15(2)13(21)16(3)14-10/h8-9H,4-7H2,1-3H3,(H,19,20)
InChIKeyGNCYUMVJEXRQRD-UHFFFAOYSA-N
XLogP-0.44
TPSA97.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid 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

4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid
CID 114427626
2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)pyrrolidin-2-yl]acetic acid
CID 61371099
2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid
CID 63905253
1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427498
4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114427599
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61409552
6-[3-(aminomethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62062560
1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114474690
4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid
CID 114788663
1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114427497
1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431052
4-ethyl-1-(4-methylsulfonylphenyl)piperidine-2-carboxylic acid
CID 114427648

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid (CID 114427547) is 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(c2nn(C)c(=O)n(C)c2=O)C(C(=O)O)C1.
What is the InChIKey of 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is GNCYUMVJEXRQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-4-8-5-6-17(9(7-8)12(19)20)10-11(18)15(2)13(21)16(3)14-10/h8-9H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid?
1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114427547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).