2-methyl-6-[2-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyridazin-3-one

C18H22N4O2 — CID 45196110

IUPAC2-methyl-6-[2-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCc1ccc(N2CCN(C(=O)c3ccc(=O)n(C)n3)C(C)C2)cc1
InChIInChI=1S/C18H22N4O2/c1-13-4-6-15(7-5-13)21-10-11-22(14(2)12-21)18(24)16-8-9-17(23)20(3)19-16/h4-9,14H,10-12H2,1-3H3
InChIKeyCEOVSVKEAYZTBF-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.44
Rot. Bonds2

About 2-methyl-6-[2-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyridazin-3-one

2-methyl-6-[2-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 45196110) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methyl-6-[2-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[2-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyridazin-3-one
PubChem CID45196110
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-methyl-6-[2-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCc1ccc(N2CCN(C(=O)c3ccc(=O)n(C)n3)C(C)C2)cc1
InChIInChI=1S/C18H22N4O2/c1-13-4-6-15(7-5-13)21-10-11-22(14(2)12-21)18(24)16-8-9-17(23)20(3)19-16/h4-9,14H,10-12H2,1-3H3
InChIKeyCEOVSVKEAYZTBF-UHFFFAOYSA-N
XLogP1.44
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone
CID 70736458
cyclohexa-1,3-dien-1-yl-[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone
CID 139470960
3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid
CID 107069832
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
methyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 115971005
methyl 4-[3-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]benzoate
CID 51131028
2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one
CID 97071367
1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433160
1-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 70787803
2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one
CID 95592322
6-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 95736213
2-methyl-6-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyridazin-3-one
CID 122346335

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[2-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyridazin-3-one (CID 45196110) is 2-methyl-6-[2-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[2-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[2-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyridazin-3-one is Cc1ccc(N2CCN(C(=O)c3ccc(=O)n(C)n3)C(C)C2)cc1.
What is the InChIKey of 2-methyl-6-[2-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is CEOVSVKEAYZTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-4-6-15(7-5-13)21-10-11-22(14(2)12-21)18(24)16-8-9-17(23)20(3)19-16/h4-9,14H,10-12H2,1-3H3.
What are the key properties of 2-methyl-6-[2-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[2-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 326.40 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 45196110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).