2-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one

C18H24N4O — CID 56677109

IUPAC2-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one
SMILESCC(C)N1CCN(c2ccc(-c3ccc(=O)n(C)n3)cc2)CC1
InChIInChI=1S/C18H24N4O/c1-14(2)21-10-12-22(13-11-21)16-6-4-15(5-7-16)17-8-9-18(23)20(3)19-17/h4-9,14H,10-13H2,1-3H3
InChIKeyDBVCIMDUXPHARO-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.98
Rot. Bonds3

About 2-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one

2-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one (PubChem CID 56677109) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one
PubChem CID56677109
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one
SMILESCC(C)N1CCN(c2ccc(-c3ccc(=O)n(C)n3)cc2)CC1
InChIInChI=1S/C18H24N4O/c1-14(2)21-10-12-22(13-11-21)16-6-4-15(5-7-16)17-8-9-18(23)20(3)19-17/h4-9,14H,10-13H2,1-3H3
InChIKeyDBVCIMDUXPHARO-UHFFFAOYSA-N
XLogP1.98
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl]-4-phenylpiperazine
CID 2950698
6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-phenylpyridazin-3-one
CID 44539976
3H-Pyrazol-3-one, 4-[[4-(dimethylamino)phenyl]methylene]-2,4-dihydro-5-methyl-2-phenyl-
CID 5472494
2-methyl-4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1(2H)-phthalazinone
CID 1074697
2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 3245318
6-(4-methylphenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3(2H)-one
CID 3550186
2-Benzyl-4-(4-dimethylamino-benzylidene)-5-methyl-2,4-dihydro-pyrazol-3-one
CID 5404921
CID 6372735
CID 6372735
3-methyl-N'-{1-[4-(1-piperidinyl)phenyl]ethylidene}butanohydrazide
CID 9611814
N'-{1-[4-(1-piperidinyl)phenyl]ethylidene}hexanohydrazide
CID 9654636
N-(4-methylphenyl)-6-oxo-1-[(phenylcarbamoyl)methyl]-1,6-dihydropyridazine-3-carboxamide
CID 16033086
6-keto-1-[2-keto-2-(p-toluidino)ethyl]-N-(p-tolyl)pyridazine-3-carboxamide
CID 16033090

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one (CID 56677109) is 2-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one is CC(C)N1CCN(c2ccc(-c3ccc(=O)n(C)n3)cc2)CC1.
What is the InChIKey of 2-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one?
The InChIKey is DBVCIMDUXPHARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14(2)21-10-12-22(13-11-21)16-6-4-15(5-7-16)17-8-9-18(23)20(3)19-17/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 2-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one?
2-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one has a molecular weight of 312.42 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one is sourced from PubChem (CID 56677109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).