3,6-dioxo-1,2-dihydropyridazine-4-carboxylic acid

C5H4N2O4 — CID 117102523

IUPAC3,6-dioxo-1,2-dihydropyridazine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH][nH]c1=O
InChIInChI=1S/C5H4N2O4/c8-3-1-2(5(10)11)4(9)7-6-3/h1H,(H,6,8)(H,7,9)(H,10,11)
InChIKeyHZKJGESRQHQQSL-UHFFFAOYSA-N
MW156.10 g/mol
LogP-1.24
Rot. Bonds1

About 3,6-dioxo-1,2-dihydropyridazine-4-carboxylic acid

3,6-dioxo-1,2-dihydropyridazine-4-carboxylic acid (PubChem CID 117102523) has the molecular formula C5H4N2O4 and a molecular weight of 156.10 g/mol. Its IUPAC name is 3,6-dioxo-1,2-dihydropyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3,6-dioxo-1,2-dihydropyridazine-4-carboxylic acid
PubChem CID117102523
Molecular FormulaC5H4N2O4
Molecular Weight156.10 g/mol
Exact Mass156.02
IUPAC Name3,6-dioxo-1,2-dihydropyridazine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH][nH]c1=O
InChIInChI=1S/C5H4N2O4/c8-3-1-2(5(10)11)4(9)7-6-3/h1H,(H,6,8)(H,7,9)(H,10,11)
InChIKeyHZKJGESRQHQQSL-UHFFFAOYSA-N
XLogP-1.24
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dioxo-1,2-dihydropyridazine-4-carboxylic acid?
The IUPAC name of 3,6-dioxo-1,2-dihydropyridazine-4-carboxylic acid (CID 117102523) is 3,6-dioxo-1,2-dihydropyridazine-4-carboxylic acid.
What is the SMILES notation for 3,6-dioxo-1,2-dihydropyridazine-4-carboxylic acid?
The canonical SMILES for 3,6-dioxo-1,2-dihydropyridazine-4-carboxylic acid is O=C(O)c1cc(=O)[nH][nH]c1=O.
What is the InChIKey of 3,6-dioxo-1,2-dihydropyridazine-4-carboxylic acid?
The InChIKey is HZKJGESRQHQQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4/c8-3-1-2(5(10)11)4(9)7-6-3/h1H,(H,6,8)(H,7,9)(H,10,11).
What are the key properties of 3,6-dioxo-1,2-dihydropyridazine-4-carboxylic acid?
3,6-dioxo-1,2-dihydropyridazine-4-carboxylic acid has a molecular weight of 156.10 g/mol, XLogP of -1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dioxo-1,2-dihydropyridazine-4-carboxylic acid is sourced from PubChem (CID 117102523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).