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

C12H18N4O4 — CID 63124168

IUPAC1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid
SMILESCn1nc(N2CCC(C)(C(=O)O)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N4O4/c1-12(10(18)19)4-6-16(7-5-12)8-9(17)14(2)11(20)15(3)13-8/h4-7H2,1-3H3,(H,18,19)
InChIKeyXQJADAZGJADBRO-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.83
Rot. Bonds2

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

1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124168) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63124168
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid
SMILESCn1nc(N2CCC(C)(C(=O)O)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N4O4/c1-12(10(18)19)4-6-16(7-5-12)8-9(17)14(2)11(20)15(3)13-8/h4-7H2,1-3H3,(H,18,19)
InChIKeyXQJADAZGJADBRO-UHFFFAOYSA-N
XLogP-0.83
TPSA97.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-methylpiperidine-4-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

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid (CID 63124168) is 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid is Cn1nc(N2CCC(C)(C(=O)O)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is XQJADAZGJADBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-12(10(18)19)4-6-16(7-5-12)8-9(17)14(2)11(20)15(3)13-8/h4-7H2,1-3H3,(H,18,19).
What are the key properties of 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid?
1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.83, 2 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-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).