6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one

C19H24N4O2 — CID 121050859

IUPAC6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C19H24N4O2/c1-3-15-4-6-16(7-5-15)17-8-9-18(24)23(20-17)14-19(25)22-12-10-21(2)11-13-22/h4-9H,3,10-14H2,1-2H3
InChIKeyJTLVGKRIIUCFDJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.25
Rot. Bonds4

About 6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one

6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 121050859) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
PubChem CID121050859
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C19H24N4O2/c1-3-15-4-6-16(7-5-15)17-8-9-18(24)23(20-17)14-19(25)22-12-10-21(2)11-13-22/h4-9H,3,10-14H2,1-2H3
InChIKeyJTLVGKRIIUCFDJ-UHFFFAOYSA-N
XLogP1.25
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one 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-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-(4-ethylphenyl)pyridazin-3-one
CID 121051013
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
CID 121052352
6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121050965
6-(4-ethylphenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 121051001
6-(4-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7663524
6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7664521
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
N-butan-2-yl-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55830035
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
6-(4-fluorophenyl)-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 121051551
ethyl 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7662975
6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 7664527

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one (CID 121050859) is 6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one is CCc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(C)CC3)n2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is JTLVGKRIIUCFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-15-4-6-16(7-5-15)17-8-9-18(24)23(20-17)14-19(25)22-12-10-21(2)11-13-22/h4-9H,3,10-14H2,1-2H3.
What are the key properties of 6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one?
6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 340.43 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 121050859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).