2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one

C17H22N4O2 — CID 947747

IUPAC2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccccc1N1N=C(C(=O)N2CCN(C)CC2)CCC1=O
InChIInChI=1S/C17H22N4O2/c1-13-5-3-4-6-15(13)21-16(22)8-7-14(18-21)17(23)20-11-9-19(2)10-12-20/h3-6H,7-12H2,1-2H3
InChIKeyZBXIKKJGTPHNDJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.25
Rot. Bonds2

About 2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one

2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one (PubChem CID 947747) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
PubChem CID947747
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccccc1N1N=C(C(=O)N2CCN(C)CC2)CCC1=O
InChIInChI=1S/C17H22N4O2/c1-13-5-3-4-6-15(13)21-16(22)8-7-14(18-21)17(23)20-11-9-19(2)10-12-20/h3-6H,7-12H2,1-2H3
InChIKeyZBXIKKJGTPHNDJ-UHFFFAOYSA-N
XLogP1.25
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one (CID 947747) is 2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one is Cc1ccccc1N1N=C(C(=O)N2CCN(C)CC2)CCC1=O.
What is the InChIKey of 2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The InChIKey is ZBXIKKJGTPHNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-5-3-4-6-15(13)21-16(22)8-7-14(18-21)17(23)20-11-9-19(2)10-12-20/h3-6H,7-12H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one?
2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one has a molecular weight of 314.39 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 947747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).