2-(oxan-2-yl)-1H-pyridazine-3,6-dione

C9H12N2O3 — CID 23423396

IUPAC2-(oxan-2-yl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(C2CCCCO2)[nH]1
InChIInChI=1S/C9H12N2O3/c12-7-4-5-8(13)11(10-7)9-3-1-2-6-14-9/h4-5,9H,1-3,6H2,(H,10,12)
InChIKeyUGBHFDUDCFYREU-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.24
Rot. Bonds1

About 2-(oxan-2-yl)-1H-pyridazine-3,6-dione

2-(oxan-2-yl)-1H-pyridazine-3,6-dione (PubChem CID 23423396) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(oxan-2-yl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(oxan-2-yl)-1H-pyridazine-3,6-dione
PubChem CID23423396
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(oxan-2-yl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(C2CCCCO2)[nH]1
InChIInChI=1S/C9H12N2O3/c12-7-4-5-8(13)11(10-7)9-3-1-2-6-14-9/h4-5,9H,1-3,6H2,(H,10,12)
InChIKeyUGBHFDUDCFYREU-UHFFFAOYSA-N
XLogP0.24
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(oxan-2-yl)-1H-pyridazine-3,6-dione 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 2-(oxan-2-yl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(oxan-2-yl)-1H-pyridazine-3,6-dione (CID 23423396) is 2-(oxan-2-yl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(oxan-2-yl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(oxan-2-yl)-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(C2CCCCO2)[nH]1.
What is the InChIKey of 2-(oxan-2-yl)-1H-pyridazine-3,6-dione?
The InChIKey is UGBHFDUDCFYREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-7-4-5-8(13)11(10-7)9-3-1-2-6-14-9/h4-5,9H,1-3,6H2,(H,10,12).
What are the key properties of 2-(oxan-2-yl)-1H-pyridazine-3,6-dione?
2-(oxan-2-yl)-1H-pyridazine-3,6-dione has a molecular weight of 196.21 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 23423396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).