1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone

C18H22N4OS — CID 158497459

IUPAC1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(CC(=O)N2CCN(c3ccc(C)nn3)CC2)cc1
InChIInChI=1S/C18H22N4OS/c1-14-3-8-17(20-19-14)21-9-11-22(12-10-21)18(23)13-15-4-6-16(24-2)7-5-15/h3-8H,9-13H2,1-2H3
InChIKeyPJVKVPPKKNGKHV-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.40
Rot. Bonds4

About 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone

1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone (PubChem CID 158497459) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
PubChem CID158497459
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(CC(=O)N2CCN(c3ccc(C)nn3)CC2)cc1
InChIInChI=1S/C18H22N4OS/c1-14-3-8-17(20-19-14)21-9-11-22(12-10-21)18(23)13-15-4-6-16(24-2)7-5-15/h3-8H,9-13H2,1-2H3
InChIKeyPJVKVPPKKNGKHV-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 165015122
1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
CID 110771209
2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 165015130
3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 110727422
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 56699956
1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
CID 110771210
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 56699712
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 121060504
1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-one
CID 82486070
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 70703419
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone
CID 155161520
2-(4-fluorophenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 110727442

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone (CID 158497459) is 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone is CSc1ccc(CC(=O)N2CCN(c3ccc(C)nn3)CC2)cc1.
What is the InChIKey of 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone?
The InChIKey is PJVKVPPKKNGKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-14-3-8-17(20-19-14)21-9-11-22(12-10-21)18(23)13-15-4-6-16(24-2)7-5-15/h3-8H,9-13H2,1-2H3.
What are the key properties of 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone?
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone has a molecular weight of 342.47 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 158497459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).