2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one

C13H20N4O2 — CID 47162984

IUPAC2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one
SMILESCC(C)N1CCN(C(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-10(2)16-6-8-17(9-7-16)13(19)11-4-5-12(18)15(3)14-11/h4-5,10H,6-9H2,1-3H3
InChIKeyXHNCUOFGRPQONX-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.05
Rot. Bonds2

About 2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one

2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one (PubChem CID 47162984) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one
PubChem CID47162984
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one
SMILESCC(C)N1CCN(C(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-10(2)16-6-8-17(9-7-16)13(19)11-4-5-12(18)15(3)14-11/h4-5,10H,6-9H2,1-3H3
InChIKeyXHNCUOFGRPQONX-UHFFFAOYSA-N
XLogP-0.05
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121184558
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 80707142
6-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyridazin-3-one
CID 122269312
6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one
CID 42161847
6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 51327441
6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 97038837
2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one
CID 8924894
6-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122334034
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one
CID 42443203
2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one
CID 122338958
6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122332267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one (CID 47162984) is 2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one is CC(C)N1CCN(C(=O)c2ccc(=O)n(C)n2)CC1.
What is the InChIKey of 2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one?
The InChIKey is XHNCUOFGRPQONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(2)16-6-8-17(9-7-16)13(19)11-4-5-12(18)15(3)14-11/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one?
2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one has a molecular weight of 264.33 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 47162984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).