3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one

C23H26N4O — CID 139880366

IUPAC3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one
SMILESCc1ccc(N2CCN(CCc3ccc(-c4ccc(=O)[nH]n4)cc3)CC2)cc1
InChIInChI=1S/C23H26N4O/c1-18-2-8-21(9-3-18)27-16-14-26(15-17-27)13-12-19-4-6-20(7-5-19)22-10-11-23(28)25-24-22/h2-11H,12-17H2,1H3,(H,25,28)
InChIKeyUCFYLFNXFYPSQG-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.11
Rot. Bonds5

About 3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one

3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one (PubChem CID 139880366) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one
PubChem CID139880366
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one
SMILESCc1ccc(N2CCN(CCc3ccc(-c4ccc(=O)[nH]n4)cc3)CC2)cc1
InChIInChI=1S/C23H26N4O/c1-18-2-8-21(9-3-18)27-16-14-26(15-17-27)13-12-19-4-6-20(7-5-19)22-10-11-23(28)25-24-22/h2-11H,12-17H2,1H3,(H,25,28)
InChIKeyUCFYLFNXFYPSQG-UHFFFAOYSA-N
XLogP3.11
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one
CID 15107871
3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one;2,2,2-trifluoroacetic acid
CID 167791890
5-[4-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one
CID 15104502
6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine
CID 12016074
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
1-[4-[4-[2-(4-methylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone
CID 59546040
N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
CID 118857776
3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
CID 13320378
3-[2-[4-[4-[[2-(4-methylphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione
CID 130328503
1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 1375687
1-(4-methylphenyl)-4-(1H-pyrrol-3-ylmethyl)piperazine
CID 19958485
4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride
CID 3055010

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one (CID 139880366) is 3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one is Cc1ccc(N2CCN(CCc3ccc(-c4ccc(=O)[nH]n4)cc3)CC2)cc1.
What is the InChIKey of 3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one?
The InChIKey is UCFYLFNXFYPSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-18-2-8-21(9-3-18)27-16-14-26(15-17-27)13-12-19-4-6-20(7-5-19)22-10-11-23(28)25-24-22/h2-11H,12-17H2,1H3,(H,25,28).
What are the key properties of 3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one?
3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one has a molecular weight of 374.49 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 139880366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).