3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

C16H20N4O2 — CID 110757174

IUPAC3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)=NN1
InChIInChI=1S/C16H20N4O2/c21-15-7-6-14(17-18-15)16(22)20-10-8-19(9-11-20)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,18,21)
InChIKeyPJTJNNHWJSKVIL-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.60
Rot. Bonds3

About 3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 110757174) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID110757174
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)=NN1
InChIInChI=1S/C16H20N4O2/c21-15-7-6-14(17-18-15)16(22)20-10-8-19(9-11-20)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,18,21)
InChIKeyPJTJNNHWJSKVIL-UHFFFAOYSA-N
XLogP0.60
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-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

Related Compounds

3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802732
3-(4-benzylsulfonylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 9299103
3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 3974389
3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43397830
3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 9153300
3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802832
3-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 42195446
3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110740947
3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802367
3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 4825839
3-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110809736
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 9335607

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (CID 110757174) is 3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)=NN1.
What is the InChIKey of 3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is PJTJNNHWJSKVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15-7-6-14(17-18-15)16(22)20-10-8-19(9-11-20)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,18,21).
What are the key properties of 3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 300.36 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 110757174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).