4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one

C11H16BrN3O3S — CID 133344242

IUPAC4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one
SMILESCn1ncc(NCC2(CS(C)(=O)=O)CC2)c(Br)c1=O
InChIInChI=1S/C11H16BrN3O3S/c1-15-10(16)9(12)8(5-14-15)13-6-11(3-4-11)7-19(2,17)18/h5,13H,3-4,6-7H2,1-2H3
InChIKeyCDEXXDOWJZQVMH-UHFFFAOYSA-N
MW350.24 g/mol
LogP0.78
Rot. Bonds5

About 4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one

4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one (PubChem CID 133344242) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one
PubChem CID133344242
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one
SMILESCn1ncc(NCC2(CS(C)(=O)=O)CC2)c(Br)c1=O
InChIInChI=1S/C11H16BrN3O3S/c1-15-10(16)9(12)8(5-14-15)13-6-11(3-4-11)7-19(2,17)18/h5,13H,3-4,6-7H2,1-2H3
InChIKeyCDEXXDOWJZQVMH-UHFFFAOYSA-N
XLogP0.78
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133344208
4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one
CID 103741790
4-bromo-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylpyridazin-3-one
CID 115682958
4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one
CID 103736991
4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one
CID 107268999
4-bromo-5-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpyridazin-3-one
CID 104705523
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 115624125
5-[2-(azepan-1-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
CID 115624040
4-bromo-5-(but-3-ynylamino)-2-methylpyridazin-3-one
CID 115625317
4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one
CID 115624079
4-bromo-5-[2-(cycloheptylamino)ethylamino]-2-methylpyridazin-3-one
CID 114446788
4-bromo-5-hydrazinyl-2-methylpyridazin-3-one
CID 114443868

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one (CID 133344242) is 4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one is Cn1ncc(NCC2(CS(C)(=O)=O)CC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one?
The InChIKey is CDEXXDOWJZQVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c1-15-10(16)9(12)8(5-14-15)13-6-11(3-4-11)7-19(2,17)18/h5,13H,3-4,6-7H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one?
4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one has a molecular weight of 350.24 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one is sourced from PubChem (CID 133344242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).