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

C11H16N4O4 — CID 55165311

IUPAC1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2n[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H16N4O4/c1-2-11(9(17)18)4-3-5-15(6-11)7-8(16)12-10(19)14-13-7/h2-6H2,1H3,(H,17,18)(H2,12,14,16,19)
InChIKeyQMDSOOZIYLWFPA-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.46
Rot. Bonds3

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

1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethylpiperidine-3-carboxylic acid (PubChem CID 55165311) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethylpiperidine-3-carboxylic acid
PubChem CID55165311
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2n[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H16N4O4/c1-2-11(9(17)18)4-3-5-15(6-11)7-8(16)12-10(19)14-13-7/h2-6H2,1H3,(H,17,18)(H2,12,14,16,19)
InChIKeyQMDSOOZIYLWFPA-UHFFFAOYSA-N
XLogP-0.46
TPSA119.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethylpiperidine-3-carboxylic acid (CID 55165311) is 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(c2n[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is QMDSOOZIYLWFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-2-11(9(17)18)4-3-5-15(6-11)7-8(16)12-10(19)14-13-7/h2-6H2,1H3,(H,17,18)(H2,12,14,16,19).
What are the key properties of 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethylpiperidine-3-carboxylic acid?
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of -0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 55165311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).