3-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyridazin-6-one

C15H22N4O2 — CID 941844

IUPAC3-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C15H22N4O2/c20-14-7-6-13(16-17-14)15(21)19-10-8-18(9-11-19)12-4-2-1-3-5-12/h6-7,12H,1-5,8-11H2,(H,17,20)
InChIKeyNIGXYJYSWZIJKS-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.86
Rot. Bonds2

About 3-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyridazin-6-one

3-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 941844) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID941844
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C15H22N4O2/c20-14-7-6-13(16-17-14)15(21)19-10-8-18(9-11-19)12-4-2-1-3-5-12/h6-7,12H,1-5,8-11H2,(H,17,20)
InChIKeyNIGXYJYSWZIJKS-UHFFFAOYSA-N
XLogP0.86
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyridazin-6-one 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-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyridazin-6-one (CID 941844) is 3-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 3-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is NIGXYJYSWZIJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-14-7-6-13(16-17-14)15(21)19-10-8-18(9-11-19)12-4-2-1-3-5-12/h6-7,12H,1-5,8-11H2,(H,17,20).
What are the key properties of 3-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
3-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 290.37 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylpiperazine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 941844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).