5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylic acid

C9H9N3O3 — CID 168692304

IUPAC5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccnnc2)C1
InChIInChI=1S/C9H9N3O3/c13-8-3-6(9(14)15)5-12(8)7-1-2-10-11-4-7/h1-2,4,6H,3,5H2,(H,14,15)
InChIKeyKKXJAIROZBBWQJ-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.09
Rot. Bonds2

About 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylic acid

5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylic acid (PubChem CID 168692304) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylic acid
PubChem CID168692304
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccnnc2)C1
InChIInChI=1S/C9H9N3O3/c13-8-3-6(9(14)15)5-12(8)7-1-2-10-11-4-7/h1-2,4,6H,3,5H2,(H,14,15)
InChIKeyKKXJAIROZBBWQJ-UHFFFAOYSA-N
XLogP-0.09
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylic acid (CID 168692304) is 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccnnc2)C1.
What is the InChIKey of 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylic acid?
The InChIKey is KKXJAIROZBBWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c13-8-3-6(9(14)15)5-12(8)7-1-2-10-11-4-7/h1-2,4,6H,3,5H2,(H,14,15).
What are the key properties of 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylic acid?
5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168692304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).