3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one

C12H18N4O4S — CID 110804798

IUPAC3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C12H18N4O4S/c1-2-9-21(19,20)16-7-5-15(6-8-16)12(18)10-3-4-11(17)14-13-10/h3-4H,2,5-9H2,1H3,(H,14,17)
InChIKeyKGQZTFLILOVMCV-UHFFFAOYSA-N
MW314.37 g/mol
LogP-0.73
Rot. Bonds4

About 3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one

3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 110804798) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID110804798
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C12H18N4O4S/c1-2-9-21(19,20)16-7-5-15(6-8-16)12(18)10-3-4-11(17)14-13-10/h3-4H,2,5-9H2,1H3,(H,14,17)
InChIKeyKGQZTFLILOVMCV-UHFFFAOYSA-N
XLogP-0.73
TPSA103.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-benzylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 9070811
6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 46456038
3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 110800607
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propylpiperazine-1-carboxamide
CID 110812162
3-(4-propylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 103720325
(4-butylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328591
3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one
CID 2031185
ethyl 4-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808932
3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 113229540
(3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 64523295
(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20910824
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one (CID 110804798) is 3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one is CCCS(=O)(=O)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is KGQZTFLILOVMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-2-9-21(19,20)16-7-5-15(6-8-16)12(18)10-3-4-11(17)14-13-10/h3-4H,2,5-9H2,1H3,(H,14,17).
What are the key properties of 3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 314.37 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 110804798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).