4-bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one

C9H12BrN3O2 — CID 14176298

IUPAC4-bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one
SMILESCn1ncc(N2CCOCC2)c(Br)c1=O
InChIInChI=1S/C9H12BrN3O2/c1-12-9(14)8(10)7(6-11-12)13-2-4-15-5-3-13/h6H,2-5H2,1H3
InChIKeyAMGGFGALXOQALP-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.38
Rot. Bonds1

About 4-bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one

4-bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one (PubChem CID 14176298) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one
PubChem CID14176298
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name4-bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one
SMILESCn1ncc(N2CCOCC2)c(Br)c1=O
InChIInChI=1S/C9H12BrN3O2/c1-12-9(14)8(10)7(6-11-12)13-2-4-15-5-3-13/h6H,2-5H2,1H3
InChIKeyAMGGFGALXOQALP-UHFFFAOYSA-N
XLogP0.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3(2H)-Pyridazinone, 4-chloro-2-methyl-5-morpholino-
CID 120991
[5-bromo-4-morpholino-6-oxo-1(6H)-pyridazinyl]methyl acetate
CID 1477952
4-bromo-5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479792
2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
4-Bromo-5-(2-ethylmorpholin-4-yl)-2-methylpyridazin-3-one
CID 56789086
4-Bromo-5-[2-methoxyethyl(methyl)amino]-2-methylpyridazin-3-one
CID 56789092
4-Bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 143090952
4-Bromo-2-(2-hydroxyethyl)-5-morpholin-4-ylpyridazin-3-one
CID 60031419
4-Bromo-5-(morpholin-4-yl)pyridazin-3(2h)-one
CID 248671
methyl [5-bromo-4-(morpholin-4-yl)-6-oxopyridazin-1(6H)-yl]acetate
CID 16763810
Methyl 2-[5-bromo-4-(2,6-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]acetate
CID 19245564
4-Bromo-2-ethyl-5-morpholin-4-ylpyridazin-3-one
CID 19245617

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one (CID 14176298) is 4-bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one is Cn1ncc(N2CCOCC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is AMGGFGALXOQALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-12-9(14)8(10)7(6-11-12)13-2-4-15-5-3-13/h6H,2-5H2,1H3.
What are the key properties of 4-bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one?
4-bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 274.12 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 14176298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).