1-(6-oxopyridazin-1-yl)cyclohexane-1-carboxylic acid

C11H14N2O3 — CID 82235910

IUPAC1-(6-oxopyridazin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(n2ncccc2=O)CCCCC1
InChIInChI=1S/C11H14N2O3/c14-9-5-4-8-12-13(9)11(10(15)16)6-2-1-3-7-11/h4-5,8H,1-3,6-7H2,(H,15,16)
InChIKeyZWBCSVZSPZAPRY-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.99
Rot. Bonds2

About 1-(6-oxopyridazin-1-yl)cyclohexane-1-carboxylic acid

1-(6-oxopyridazin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 82235910) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(6-oxopyridazin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxopyridazin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID82235910
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(6-oxopyridazin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(n2ncccc2=O)CCCCC1
InChIInChI=1S/C11H14N2O3/c14-9-5-4-8-12-13(9)11(10(15)16)6-2-1-3-7-11/h4-5,8H,1-3,6-7H2,(H,15,16)
InChIKeyZWBCSVZSPZAPRY-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-oxopyridazin-1-yl)cyclohexane-1-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-(6-oxopyridazin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(6-oxopyridazin-1-yl)cyclohexane-1-carboxylic acid (CID 82235910) is 1-(6-oxopyridazin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(6-oxopyridazin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(6-oxopyridazin-1-yl)cyclohexane-1-carboxylic acid is O=C(O)C1(n2ncccc2=O)CCCCC1.
What is the InChIKey of 1-(6-oxopyridazin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is ZWBCSVZSPZAPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-9-5-4-8-12-13(9)11(10(15)16)6-2-1-3-7-11/h4-5,8H,1-3,6-7H2,(H,15,16).
What are the key properties of 1-(6-oxopyridazin-1-yl)cyclohexane-1-carboxylic acid?
1-(6-oxopyridazin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxopyridazin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82235910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).