3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one

C15H24N4O — CID 110727422

IUPAC3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one
SMILESCc1ccc(N2CCN(C(=O)CC(C)(C)C)CC2)nn1
InChIInChI=1S/C15H24N4O/c1-12-5-6-13(17-16-12)18-7-9-19(10-8-18)14(20)11-15(2,3)4/h5-6H,7-11H2,1-4H3
InChIKeyMROLWLYUUUQPMF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.87
Rot. Bonds2

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

3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one (PubChem CID 110727422) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one
PubChem CID110727422
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one
SMILESCc1ccc(N2CCN(C(=O)CC(C)(C)C)CC2)nn1
InChIInChI=1S/C15H24N4O/c1-12-5-6-13(17-16-12)18-7-9-19(10-8-18)14(20)11-15(2,3)4/h5-6H,7-11H2,1-4H3
InChIKeyMROLWLYUUUQPMF-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 56699712
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 70703856
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 165015122
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 158497459
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 71961267
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone
CID 157200827
2-(4-fluorophenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 110727442
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 121060504
1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 122335029

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one (CID 110727422) is 3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one is Cc1ccc(N2CCN(C(=O)CC(C)(C)C)CC2)nn1.
What is the InChIKey of 3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one?
The InChIKey is MROLWLYUUUQPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-5-6-13(17-16-12)18-7-9-19(10-8-18)14(20)11-15(2,3)4/h5-6H,7-11H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one?
3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110727422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).