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

C20H20N6O2 — CID 121060100

IUPAC3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1ccccc1-c1ccc(N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)nn1
InChIInChI=1S/C20H20N6O2/c1-14-4-2-3-5-15(14)16-6-8-18(23-21-16)25-10-12-26(13-11-25)20(28)17-7-9-19(27)24-22-17/h2-9H,10-13H2,1H3,(H,24,27)
InChIKeyBQNYQISQSOMWFG-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.50
Rot. Bonds3

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

3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 121060100) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID121060100
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1ccccc1-c1ccc(N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)nn1
InChIInChI=1S/C20H20N6O2/c1-14-4-2-3-5-15(14)16-6-8-18(23-21-16)25-10-12-26(13-11-25)20(28)17-7-9-19(27)24-22-17/h2-9H,10-13H2,1H3,(H,24,27)
InChIKeyBQNYQISQSOMWFG-UHFFFAOYSA-N
XLogP1.50
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 121060031
6-methyl-3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121060045
3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110665089
3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121060046
3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 90506344
[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 121060077
3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108741817
3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 2022751
1-(4-fluorophenyl)-4-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121060056
3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110745900
1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one
CID 116973128
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30363605

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one (CID 121060100) is 3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one is Cc1ccccc1-c1ccc(N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)nn1.
What is the InChIKey of 3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is BQNYQISQSOMWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-14-4-2-3-5-15(14)16-6-8-18(23-21-16)25-10-12-26(13-11-25)20(28)17-7-9-19(27)24-22-17/h2-9H,10-13H2,1H3,(H,24,27).
What are the key properties of 3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 376.42 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 121060100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).