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

C18H23N5O — CID 25283703

IUPAC3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C18H23N5O/c1-14(2)13-18(24)23-11-9-22(10-12-23)17-7-6-16(20-21-17)15-5-3-4-8-19-15/h3-8,14H,9-13H2,1-2H3
InChIKeyOQWMLUZLXOUMMX-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.23
Rot. Bonds4

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

3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one (PubChem CID 25283703) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
PubChem CID25283703
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C18H23N5O/c1-14(2)13-18(24)23-11-9-22(10-12-23)17-7-6-16(20-21-17)15-5-3-4-8-19-15/h3-8,14H,9-13H2,1-2H3
InChIKeyOQWMLUZLXOUMMX-UHFFFAOYSA-N
XLogP2.23
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 121058143
2-(3-methylphenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058835
pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058477
1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 121038195
3-methyl-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one
CID 121113750
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 121053699
(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-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058496
3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 25283779
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058233
[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121058164

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one (CID 25283703) is 3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one is CC(C)CC(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1.
What is the InChIKey of 3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one?
The InChIKey is OQWMLUZLXOUMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-14(2)13-18(24)23-11-9-22(10-12-23)17-7-6-16(20-21-17)15-5-3-4-8-19-15/h3-8,14H,9-13H2,1-2H3.
What are the key properties of 3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one?
3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one has a molecular weight of 325.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 25283703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).