pyridazine-4-carboxylic acid

C5H4N2O2 — CID 2761046

IUPACpyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1
InChIInChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-7-3-4/h1-3H,(H,8,9)
InChIKeyJUSIWJONLKBPDU-UHFFFAOYSA-N
MW124.10 g/mol
LogP0.17
Rot. Bonds1

About pyridazine-4-carboxylic acid

pyridazine-4-carboxylic acid (PubChem CID 2761046) has the molecular formula C5H4N2O2 and a molecular weight of 124.10 g/mol. Its IUPAC name is pyridazine-4-carboxylic acid.

Molecular Properties

Compound Namepyridazine-4-carboxylic acid
PubChem CID2761046
Molecular FormulaC5H4N2O2
Molecular Weight124.10 g/mol
Exact Mass124.03
IUPAC Namepyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1
InChIInChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-7-3-4/h1-3H,(H,8,9)
InChIKeyJUSIWJONLKBPDU-UHFFFAOYSA-N
XLogP0.17
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridazine-4-carboxylic acid?
The IUPAC name of pyridazine-4-carboxylic acid (CID 2761046) is pyridazine-4-carboxylic acid.
What is the SMILES notation for pyridazine-4-carboxylic acid?
The canonical SMILES for pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1.
What is the InChIKey of pyridazine-4-carboxylic acid?
The InChIKey is JUSIWJONLKBPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-7-3-4/h1-3H,(H,8,9).
What are the key properties of pyridazine-4-carboxylic acid?
pyridazine-4-carboxylic acid has a molecular weight of 124.10 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazine-4-carboxylic acid is sourced from PubChem (CID 2761046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).