6-(oxetan-3-ylsulfanyl)pyridazine-3-carboxylic acid

C8H8N2O3S — CID 79326262

IUPAC6-(oxetan-3-ylsulfanyl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(SC2COC2)nn1
InChIInChI=1S/C8H8N2O3S/c11-8(12)6-1-2-7(10-9-6)14-5-3-13-4-5/h1-2,5H,3-4H2,(H,11,12)
InChIKeyKCIOYLJFLLTMAR-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.67
Rot. Bonds3

About 6-(oxetan-3-ylsulfanyl)pyridazine-3-carboxylic acid

6-(oxetan-3-ylsulfanyl)pyridazine-3-carboxylic acid (PubChem CID 79326262) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 6-(oxetan-3-ylsulfanyl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(oxetan-3-ylsulfanyl)pyridazine-3-carboxylic acid
PubChem CID79326262
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name6-(oxetan-3-ylsulfanyl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(SC2COC2)nn1
InChIInChI=1S/C8H8N2O3S/c11-8(12)6-1-2-7(10-9-6)14-5-3-13-4-5/h1-2,5H,3-4H2,(H,11,12)
InChIKeyKCIOYLJFLLTMAR-UHFFFAOYSA-N
XLogP0.67
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(oxetan-3-ylsulfanyl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(oxetan-3-ylsulfanyl)pyridazine-3-carboxylic acid (CID 79326262) is 6-(oxetan-3-ylsulfanyl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(oxetan-3-ylsulfanyl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(oxetan-3-ylsulfanyl)pyridazine-3-carboxylic acid is O=C(O)c1ccc(SC2COC2)nn1.
What is the InChIKey of 6-(oxetan-3-ylsulfanyl)pyridazine-3-carboxylic acid?
The InChIKey is KCIOYLJFLLTMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c11-8(12)6-1-2-7(10-9-6)14-5-3-13-4-5/h1-2,5H,3-4H2,(H,11,12).
What are the key properties of 6-(oxetan-3-ylsulfanyl)pyridazine-3-carboxylic acid?
6-(oxetan-3-ylsulfanyl)pyridazine-3-carboxylic acid has a molecular weight of 212.23 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxetan-3-ylsulfanyl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 79326262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).