1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylic acid

C8H8N2O4 — CID 139512242

IUPAC1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(C2COC2)n1
InChIInChI=1S/C8H8N2O4/c11-7-2-1-6(8(12)13)9-10(7)5-3-14-4-5/h1-2,5H,3-4H2,(H,12,13)
InChIKeyPBALONMRIRQKOT-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.49
Rot. Bonds2

About 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylic acid

1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylic acid (PubChem CID 139512242) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylic acid
PubChem CID139512242
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(C2COC2)n1
InChIInChI=1S/C8H8N2O4/c11-7-2-1-6(8(12)13)9-10(7)5-3-14-4-5/h1-2,5H,3-4H2,(H,12,13)
InChIKeyPBALONMRIRQKOT-UHFFFAOYSA-N
XLogP-0.49
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylic acid (CID 139512242) is 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylic acid is O=C(O)c1ccc(=O)n(C2COC2)n1.
What is the InChIKey of 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylic acid?
The InChIKey is PBALONMRIRQKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-7-2-1-6(8(12)13)9-10(7)5-3-14-4-5/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylic acid?
1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 139512242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).