5-hydroxy-4-oxo-1H-pyridazine-6-carboxylic acid

C5H4N2O4 — CID 54707064

IUPAC5-hydroxy-4-oxo-1H-pyridazine-6-carboxylic acid
SMILESO=C(O)c1[nH]ncc(=O)c1O
InChIInChI=1S/C5H4N2O4/c8-2-1-6-7-3(4(2)9)5(10)11/h1H,(H,6,9)(H,7,8)(H,10,11)
InChIKeyXPYHDYSFKRZXMF-UHFFFAOYSA-N
MW156.10 g/mol
LogP-0.83
Rot. Bonds1

About 5-hydroxy-4-oxo-1H-pyridazine-6-carboxylic acid

5-hydroxy-4-oxo-1H-pyridazine-6-carboxylic acid (PubChem CID 54707064) has the molecular formula C5H4N2O4 and a molecular weight of 156.10 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1H-pyridazine-6-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1H-pyridazine-6-carboxylic acid
PubChem CID54707064
Molecular FormulaC5H4N2O4
Molecular Weight156.10 g/mol
Exact Mass156.02
IUPAC Name5-hydroxy-4-oxo-1H-pyridazine-6-carboxylic acid
SMILESO=C(O)c1[nH]ncc(=O)c1O
InChIInChI=1S/C5H4N2O4/c8-2-1-6-7-3(4(2)9)5(10)11/h1H,(H,6,9)(H,7,8)(H,10,11)
InChIKeyXPYHDYSFKRZXMF-UHFFFAOYSA-N
XLogP-0.83
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1H-pyridazine-6-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1H-pyridazine-6-carboxylic acid (CID 54707064) is 5-hydroxy-4-oxo-1H-pyridazine-6-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1H-pyridazine-6-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1H-pyridazine-6-carboxylic acid is O=C(O)c1[nH]ncc(=O)c1O.
What is the InChIKey of 5-hydroxy-4-oxo-1H-pyridazine-6-carboxylic acid?
The InChIKey is XPYHDYSFKRZXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4/c8-2-1-6-7-3(4(2)9)5(10)11/h1H,(H,6,9)(H,7,8)(H,10,11).
What are the key properties of 5-hydroxy-4-oxo-1H-pyridazine-6-carboxylic acid?
5-hydroxy-4-oxo-1H-pyridazine-6-carboxylic acid has a molecular weight of 156.10 g/mol, XLogP of -0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-1H-pyridazine-6-carboxylic acid is sourced from PubChem (CID 54707064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).