5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid

C6H7N3O4 — CID 59550722

IUPAC5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid
SMILESCCn1c(=O)nc(C(=O)O)[nH]c1=O
InChIInChI=1S/C6H7N3O4/c1-2-9-5(12)7-3(4(10)11)8-6(9)13/h2H2,1H3,(H,10,11)(H,7,8,12,13)
InChIKeyWLFLKJSLDNMQGD-UHFFFAOYSA-N
MW185.14 g/mol
LogP-1.35
Rot. Bonds2

About 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid

5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid (PubChem CID 59550722) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid
PubChem CID59550722
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Name5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid
SMILESCCn1c(=O)nc(C(=O)O)[nH]c1=O
InChIInChI=1S/C6H7N3O4/c1-2-9-5(12)7-3(4(10)11)8-6(9)13/h2H2,1H3,(H,10,11)(H,7,8,12,13)
InChIKeyWLFLKJSLDNMQGD-UHFFFAOYSA-N
XLogP-1.35
TPSA105.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid?
The IUPAC name of 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid (CID 59550722) is 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid?
The canonical SMILES for 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid is CCn1c(=O)nc(C(=O)O)[nH]c1=O.
What is the InChIKey of 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid?
The InChIKey is WLFLKJSLDNMQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c1-2-9-5(12)7-3(4(10)11)8-6(9)13/h2H2,1H3,(H,10,11)(H,7,8,12,13).
What are the key properties of 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid?
5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid has a molecular weight of 185.14 g/mol, XLogP of -1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 59550722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).