3-(azetidin-1-yl)-6-oxo-1H-pyridazine-4-carboxylic acid

C8H9N3O3 — CID 117102593

IUPAC3-(azetidin-1-yl)-6-oxo-1H-pyridazine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]nc1N1CCC1
InChIInChI=1S/C8H9N3O3/c12-6-4-5(8(13)14)7(10-9-6)11-2-1-3-11/h4H,1-3H2,(H,9,12)(H,13,14)
InChIKeyIREXOQREDWZFSS-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.32
Rot. Bonds2

About 3-(azetidin-1-yl)-6-oxo-1H-pyridazine-4-carboxylic acid

3-(azetidin-1-yl)-6-oxo-1H-pyridazine-4-carboxylic acid (PubChem CID 117102593) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-6-oxo-1H-pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(azetidin-1-yl)-6-oxo-1H-pyridazine-4-carboxylic acid
PubChem CID117102593
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name3-(azetidin-1-yl)-6-oxo-1H-pyridazine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]nc1N1CCC1
InChIInChI=1S/C8H9N3O3/c12-6-4-5(8(13)14)7(10-9-6)11-2-1-3-11/h4H,1-3H2,(H,9,12)(H,13,14)
InChIKeyIREXOQREDWZFSS-UHFFFAOYSA-N
XLogP-0.32
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-6-oxo-1H-pyridazine-4-carboxylic acid?
The IUPAC name of 3-(azetidin-1-yl)-6-oxo-1H-pyridazine-4-carboxylic acid (CID 117102593) is 3-(azetidin-1-yl)-6-oxo-1H-pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(azetidin-1-yl)-6-oxo-1H-pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(azetidin-1-yl)-6-oxo-1H-pyridazine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]nc1N1CCC1.
What is the InChIKey of 3-(azetidin-1-yl)-6-oxo-1H-pyridazine-4-carboxylic acid?
The InChIKey is IREXOQREDWZFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c12-6-4-5(8(13)14)7(10-9-6)11-2-1-3-11/h4H,1-3H2,(H,9,12)(H,13,14).
What are the key properties of 3-(azetidin-1-yl)-6-oxo-1H-pyridazine-4-carboxylic acid?
3-(azetidin-1-yl)-6-oxo-1H-pyridazine-4-carboxylic acid has a molecular weight of 195.18 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-6-oxo-1H-pyridazine-4-carboxylic acid is sourced from PubChem (CID 117102593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).