1-cyclohexyl-6-oxopyridazine-3-carboxylic acid

C11H14N2O3 — CID 61271621

IUPAC1-cyclohexyl-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(C2CCCCC2)n1
InChIInChI=1S/C11H14N2O3/c14-10-7-6-9(11(15)16)12-13(10)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,16)
InChIKeyZKMJNNSEHUXCKB-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.45
Rot. Bonds2

About 1-cyclohexyl-6-oxopyridazine-3-carboxylic acid

1-cyclohexyl-6-oxopyridazine-3-carboxylic acid (PubChem CID 61271621) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-cyclohexyl-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-6-oxopyridazine-3-carboxylic acid
PubChem CID61271621
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-cyclohexyl-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(C2CCCCC2)n1
InChIInChI=1S/C11H14N2O3/c14-10-7-6-9(11(15)16)12-13(10)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,16)
InChIKeyZKMJNNSEHUXCKB-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-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-cyclohexyl-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-cyclohexyl-6-oxopyridazine-3-carboxylic acid (CID 61271621) is 1-cyclohexyl-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-6-oxopyridazine-3-carboxylic acid is O=C(O)c1ccc(=O)n(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-6-oxopyridazine-3-carboxylic acid?
The InChIKey is ZKMJNNSEHUXCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10-7-6-9(11(15)16)12-13(10)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,16).
What are the key properties of 1-cyclohexyl-6-oxopyridazine-3-carboxylic acid?
1-cyclohexyl-6-oxopyridazine-3-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 61271621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).