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

C9H12N4O4 — CID 43431815

IUPAC1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2n[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C9H12N4O4/c14-7-6(11-12-9(17)10-7)13-3-1-2-5(4-13)8(15)16/h5H,1-4H2,(H,15,16)(H2,10,12,14,17)
InChIKeyXSGOQAHMAGIKAR-UHFFFAOYSA-N
MW240.22 g/mol
LogP-1.24
Rot. Bonds2

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

1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-3-carboxylic acid (PubChem CID 43431815) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-3-carboxylic acid
PubChem CID43431815
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2n[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C9H12N4O4/c14-7-6(11-12-9(17)10-7)13-3-1-2-5(4-13)8(15)16/h5H,1-4H2,(H,15,16)(H2,10,12,14,17)
InChIKeyXSGOQAHMAGIKAR-UHFFFAOYSA-N
XLogP-1.24
TPSA119.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-1.24
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)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-3-carboxylic acid (CID 43431815) is 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2n[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-3-carboxylic acid?
The InChIKey is XSGOQAHMAGIKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c14-7-6(11-12-9(17)10-7)13-3-1-2-5(4-13)8(15)16/h5H,1-4H2,(H,15,16)(H2,10,12,14,17).
What are the key properties of 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-3-carboxylic acid?
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-3-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of -1.24, 2 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)piperidine-3-carboxylic acid is sourced from PubChem (CID 43431815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).