N-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C12H21BrN4O3S — CID 114438205

IUPACN-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)n1ncc(NCC(C)(C)NS(C)(=O)=O)c(Br)c1=O
InChIInChI=1S/C12H21BrN4O3S/c1-8(2)17-11(18)10(13)9(6-15-17)14-7-12(3,4)16-21(5,19)20/h6,8,14,16H,7H2,1-5H3
InChIKeyINGSZSUBMNNQQJ-UHFFFAOYSA-N
MW381.30 g/mol
LogP1.33
Rot. Bonds6

About N-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 114438205) has the molecular formula C12H21BrN4O3S and a molecular weight of 381.30 g/mol. Its IUPAC name is N-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID114438205
Molecular FormulaC12H21BrN4O3S
Molecular Weight381.30 g/mol
Exact Mass380.05
IUPAC NameN-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)n1ncc(NCC(C)(C)NS(C)(=O)=O)c(Br)c1=O
InChIInChI=1S/C12H21BrN4O3S/c1-8(2)17-11(18)10(13)9(6-15-17)14-7-12(3,4)16-21(5,19)20/h6,8,14,16H,7H2,1-5H3
InChIKeyINGSZSUBMNNQQJ-UHFFFAOYSA-N
XLogP1.33
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide with MolForge

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Related Compounds

4-bromo-5-(2,2-dimethylpropylamino)-2-propan-2-ylpyridazin-3-one
CID 114434796
4-bromo-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-propan-2-ylpyridazin-3-one
CID 106177976
N-[1-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 114438200
4-bromo-5-(3-methylsulfonylpropylamino)-2-propan-2-ylpyridazin-3-one
CID 114434481
4-bromo-5-[(2-ethyl-2-hydroxybutyl)amino]-2-propan-2-ylpyridazin-3-one
CID 114439279
4-bromo-2-propan-2-yl-5-(prop-2-ynylamino)pyridazin-3-one
CID 114436905
5-(3-aminopropylamino)-4-bromo-2-propan-2-ylpyridazin-3-one
CID 114444481
4-bromo-2-propan-2-yl-5-(5,5,5-trifluoropentylamino)pyridazin-3-one
CID 114440849
4-bromo-5-(4-methoxybutylamino)-2-propan-2-ylpyridazin-3-one
CID 114436294
4-bromo-5-[(4-chlorophenyl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114431125
4-bromo-2-propan-2-yl-5-(2-pyrrolidin-1-ylethylamino)pyridazin-3-one
CID 114437350
4-bromo-2-propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridazin-3-one
CID 114438165

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 114438205) is N-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)n1ncc(NCC(C)(C)NS(C)(=O)=O)c(Br)c1=O.
What is the InChIKey of N-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is INGSZSUBMNNQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4O3S/c1-8(2)17-11(18)10(13)9(6-15-17)14-7-12(3,4)16-21(5,19)20/h6,8,14,16H,7H2,1-5H3.
What are the key properties of N-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 381.30 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 114438205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).