N,N-dimethyl-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzenesulfonamide

C19H23N7O3S — CID 166884322

IUPACN,N-dimethyl-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1
InChIInChI=1S/C19H23N7O3S/c1-23(2)30(28,29)16-5-3-15(4-6-16)13-19(27)25-11-9-24(10-12-25)18-8-7-17-21-20-14-26(17)22-18/h3-8,14H,9-13H2,1-2H3
InChIKeyHUFOLHPJAJBAQK-UHFFFAOYSA-N
MW429.51 g/mol
LogP0.27
Rot. Bonds5

About N,N-dimethyl-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzenesulfonamide

N,N-dimethyl-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 166884322) has the molecular formula C19H23N7O3S and a molecular weight of 429.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzenesulfonamide
PubChem CID166884322
Molecular FormulaC19H23N7O3S
Molecular Weight429.51 g/mol
Exact Mass429.16
IUPAC NameN,N-dimethyl-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1
InChIInChI=1S/C19H23N7O3S/c1-23(2)30(28,29)16-5-3-15(4-6-16)13-19(27)25-11-9-24(10-12-25)18-8-7-17-21-20-14-26(17)22-18/h3-8,14H,9-13H2,1-2H3
InChIKeyHUFOLHPJAJBAQK-UHFFFAOYSA-N
XLogP0.27
TPSA104.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-hydroxyethyl)-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzamide
CID 162386553
2-(cyclohexen-1-yl)-1-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CID 136526716
2-[3,5-bis(trifluoromethyl)phenyl]-1-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CID 162386646
2-[3-(difluoromethyl)-4-fluorophenyl]-1-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CID 162386637
2-(3-ethynylphenyl)-1-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CID 162386724
4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 134310589
1-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 134161428
1-[4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 162386508
1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CID 86894836
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 122342689
2-(3,4-dimethoxyphenyl)-1-[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
CID 155799452
N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110674517

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzenesulfonamide (CID 166884322) is N,N-dimethyl-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is HUFOLHPJAJBAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3S/c1-23(2)30(28,29)16-5-3-15(4-6-16)13-19(27)25-11-9-24(10-12-25)18-8-7-17-21-20-14-26(17)22-18/h3-8,14H,9-13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzenesulfonamide?
N,N-dimethyl-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 429.51 g/mol, XLogP of 0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-oxo-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 166884322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).