6-oxo-4,5-dihydro-1H-pyridazine-4-carboxylic acid

C5H6N2O3 — CID 55303626

IUPAC6-oxo-4,5-dihydro-1H-pyridazine-4-carboxylic acid
SMILESO=C1CC(C(=O)O)C=NN1
InChIInChI=1S/C5H6N2O3/c8-4-1-3(5(9)10)2-6-7-4/h2-3H,1H2,(H,7,8)(H,9,10)
InChIKeyXICHJUJWCUKPRU-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.81
Rot. Bonds1

About 6-oxo-4,5-dihydro-1H-pyridazine-4-carboxylic acid

6-oxo-4,5-dihydro-1H-pyridazine-4-carboxylic acid (PubChem CID 55303626) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 6-oxo-4,5-dihydro-1H-pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-oxo-4,5-dihydro-1H-pyridazine-4-carboxylic acid
PubChem CID55303626
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name6-oxo-4,5-dihydro-1H-pyridazine-4-carboxylic acid
SMILESO=C1CC(C(=O)O)C=NN1
InChIInChI=1S/C5H6N2O3/c8-4-1-3(5(9)10)2-6-7-4/h2-3H,1H2,(H,7,8)(H,9,10)
InChIKeyXICHJUJWCUKPRU-UHFFFAOYSA-N
XLogP-0.81
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-4,5-dihydro-1H-pyridazine-4-carboxylic acid?
The IUPAC name of 6-oxo-4,5-dihydro-1H-pyridazine-4-carboxylic acid (CID 55303626) is 6-oxo-4,5-dihydro-1H-pyridazine-4-carboxylic acid.
What is the SMILES notation for 6-oxo-4,5-dihydro-1H-pyridazine-4-carboxylic acid?
The canonical SMILES for 6-oxo-4,5-dihydro-1H-pyridazine-4-carboxylic acid is O=C1CC(C(=O)O)C=NN1.
What is the InChIKey of 6-oxo-4,5-dihydro-1H-pyridazine-4-carboxylic acid?
The InChIKey is XICHJUJWCUKPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c8-4-1-3(5(9)10)2-6-7-4/h2-3H,1H2,(H,7,8)(H,9,10).
What are the key properties of 6-oxo-4,5-dihydro-1H-pyridazine-4-carboxylic acid?
6-oxo-4,5-dihydro-1H-pyridazine-4-carboxylic acid has a molecular weight of 142.11 g/mol, XLogP of -0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-4,5-dihydro-1H-pyridazine-4-carboxylic acid is sourced from PubChem (CID 55303626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).