(3-ethylcyclohexyl)-pyridazin-4-ylmethanone

C13H18N2O — CID 105106676

IUPAC(3-ethylcyclohexyl)-pyridazin-4-ylmethanone
SMILESCCC1CCCC(C(=O)c2ccnnc2)C1
InChIInChI=1S/C13H18N2O/c1-2-10-4-3-5-11(8-10)13(16)12-6-7-14-15-9-12/h6-7,9-11H,2-5,8H2,1H3
InChIKeyXXLUYMCAYPKGLI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.88
Rot. Bonds3

About (3-ethylcyclohexyl)-pyridazin-4-ylmethanone

(3-ethylcyclohexyl)-pyridazin-4-ylmethanone (PubChem CID 105106676) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-pyridazin-4-ylmethanone
PubChem CID105106676
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(3-ethylcyclohexyl)-pyridazin-4-ylmethanone
SMILESCCC1CCCC(C(=O)c2ccnnc2)C1
InChIInChI=1S/C13H18N2O/c1-2-10-4-3-5-11(8-10)13(16)12-6-7-14-15-9-12/h6-7,9-11H,2-5,8H2,1H3
InChIKeyXXLUYMCAYPKGLI-UHFFFAOYSA-N
XLogP2.88
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-ethylcyclohexyl)-pyridazin-4-ylmethanone 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 (3-ethylcyclohexyl)-pyridazin-4-ylmethanone?
The IUPAC name of (3-ethylcyclohexyl)-pyridazin-4-ylmethanone (CID 105106676) is (3-ethylcyclohexyl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (3-ethylcyclohexyl)-pyridazin-4-ylmethanone?
The canonical SMILES for (3-ethylcyclohexyl)-pyridazin-4-ylmethanone is CCC1CCCC(C(=O)c2ccnnc2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-pyridazin-4-ylmethanone?
The InChIKey is XXLUYMCAYPKGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-10-4-3-5-11(8-10)13(16)12-6-7-14-15-9-12/h6-7,9-11H,2-5,8H2,1H3.
What are the key properties of (3-ethylcyclohexyl)-pyridazin-4-ylmethanone?
(3-ethylcyclohexyl)-pyridazin-4-ylmethanone has a molecular weight of 218.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 105106676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).