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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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).