6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid

C9H11N3O3 — CID 131162753

IUPAC6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid
SMILESCC1(O)CN(c2ccc(C(=O)O)nn2)C1
InChIInChI=1S/C9H11N3O3/c1-9(15)4-12(5-9)7-3-2-6(8(13)14)10-11-7/h2-3,15H,4-5H2,1H3,(H,13,14)
InChIKeyJNEDCJQZMMJRLR-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.25
Rot. Bonds2

About 6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid

6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid (PubChem CID 131162753) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid
PubChem CID131162753
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid
SMILESCC1(O)CN(c2ccc(C(=O)O)nn2)C1
InChIInChI=1S/C9H11N3O3/c1-9(15)4-12(5-9)7-3-2-6(8(13)14)10-11-7/h2-3,15H,4-5H2,1H3,(H,13,14)
InChIKeyJNEDCJQZMMJRLR-UHFFFAOYSA-N
XLogP-0.25
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 114537374
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid
CID 93324573
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 63004045
6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid
CID 138002970
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 167803035
6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
CID 103534319
6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid
CID 62973875
6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66849323
6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61435325
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 103356410

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid (CID 131162753) is 6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid is CC1(O)CN(c2ccc(C(=O)O)nn2)C1.
What is the InChIKey of 6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid?
The InChIKey is JNEDCJQZMMJRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-9(15)4-12(5-9)7-3-2-6(8(13)14)10-11-7/h2-3,15H,4-5H2,1H3,(H,13,14).
What are the key properties of 6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid?
6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid has a molecular weight of 209.21 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 131162753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).