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

C11H16BrN3O — CID 103736991

IUPAC4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one
SMILESCn1ncc(NCC2(C)CCC2)c(Br)c1=O
InChIInChI=1S/C11H16BrN3O/c1-11(4-3-5-11)7-13-8-6-14-15(2)10(16)9(8)12/h6,13H,3-5,7H2,1-2H3
InChIKeyBLVYKKXNSDPLRT-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.14
Rot. Bonds3

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

4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one (PubChem CID 103736991) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one
PubChem CID103736991
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one
SMILESCn1ncc(NCC2(C)CCC2)c(Br)c1=O
InChIInChI=1S/C11H16BrN3O/c1-11(4-3-5-11)7-13-8-6-14-15(2)10(16)9(8)12/h6,13H,3-5,7H2,1-2H3
InChIKeyBLVYKKXNSDPLRT-UHFFFAOYSA-N
XLogP2.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one
CID 103741790
4-bromo-2-methyl-5-[(1-methylsulfanylcyclopropyl)methylamino]pyridazin-3-one
CID 107268999
4-bromo-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylpyridazin-3-one
CID 115682958
4-bromo-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133344242
4-bromo-5-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpyridazin-3-one
CID 104705523
5-[2-(azepan-1-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
CID 115624040
4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one
CID 114446718
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 115624125
4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
CID 113235058
4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one
CID 114442459
4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one
CID 107419227
4-bromo-5-[2-(cycloheptylamino)ethylamino]-2-methylpyridazin-3-one
CID 114446788

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one (CID 103736991) is 4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one is Cn1ncc(NCC2(C)CCC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one?
The InChIKey is BLVYKKXNSDPLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-11(4-3-5-11)7-13-8-6-14-15(2)10(16)9(8)12/h6,13H,3-5,7H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one?
4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one has a molecular weight of 286.17 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 103736991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).