3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one

C19H25N5O — CID 121058143

IUPAC3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C19H25N5O/c1-19(2,3)14-18(25)24-12-10-23(11-13-24)17-8-7-16(21-22-17)15-6-4-5-9-20-15/h4-9H,10-14H2,1-3H3
InChIKeyUQASQNDMPIFENN-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.62
Rot. Bonds3

About 3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one

3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one (PubChem CID 121058143) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
PubChem CID121058143
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C19H25N5O/c1-19(2,3)14-18(25)24-12-10-23(11-13-24)17-8-7-16(21-22-17)15-6-4-5-9-20-15/h4-9H,10-14H2,1-3H3
InChIKeyUQASQNDMPIFENN-UHFFFAOYSA-N
XLogP2.62
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 25283703
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
2-(3-methylphenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058835
3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 110727422
pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058477
3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 25283779
[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121058164
(3,4-dimethylphenyl)-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058149
3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 121058580
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058233
6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 121058557
5-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 121058483

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one (CID 121058143) is 3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one is CC(C)(C)CC(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1.
What is the InChIKey of 3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one?
The InChIKey is UQASQNDMPIFENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-19(2,3)14-18(25)24-12-10-23(11-13-24)17-8-7-16(21-22-17)15-6-4-5-9-20-15/h4-9H,10-14H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one?
3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one has a molecular weight of 339.44 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 121058143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).