2-(2-bromoethyl)-5-morpholin-4-ylpyridazin-3-one

C10H14BrN3O2 — CID 114394260

IUPAC2-(2-bromoethyl)-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1CCBr
InChIInChI=1S/C10H14BrN3O2/c11-1-2-14-10(15)7-9(8-12-14)13-3-5-16-6-4-13/h7-8H,1-6H2
InChIKeyMLQZEJKCZOEGSQ-UHFFFAOYSA-N
MW288.15 g/mol
LogP0.47
Rot. Bonds3

About 2-(2-bromoethyl)-5-morpholin-4-ylpyridazin-3-one

2-(2-bromoethyl)-5-morpholin-4-ylpyridazin-3-one (PubChem CID 114394260) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.15 g/mol. Its IUPAC name is 2-(2-bromoethyl)-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-bromoethyl)-5-morpholin-4-ylpyridazin-3-one
PubChem CID114394260
Molecular FormulaC10H14BrN3O2
Molecular Weight288.15 g/mol
Exact Mass287.03
IUPAC Name2-(2-bromoethyl)-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1CCBr
InChIInChI=1S/C10H14BrN3O2/c11-1-2-14-10(15)7-9(8-12-14)13-3-5-16-6-4-13/h7-8H,1-6H2
InChIKeyMLQZEJKCZOEGSQ-UHFFFAOYSA-N
XLogP0.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
Trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746472
Trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide
CID 114398753
2-(2-butyn-1-yl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 30877097
4-Bromo-2-(2-hydroxyethyl)-5-morpholin-4-ylpyridazin-3-one
CID 60031419
4-Chloro-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one
CID 12550768
5-Morpholin-4-yl-2-prop-2-enylpyridazin-3-one
CID 12550769
4-Bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one
CID 14176298
4-Bromo-2-ethyl-5-morpholin-4-ylpyridazin-3-one
CID 19245617
5-(dimethylamino)-2-[2-(4-morpholinyl)ethyl]-3(2H)-pyridazinone
CID 28311086

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-(2-bromoethyl)-5-morpholin-4-ylpyridazin-3-one (CID 114394260) is 2-(2-bromoethyl)-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-bromoethyl)-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-(2-bromoethyl)-5-morpholin-4-ylpyridazin-3-one is O=c1cc(N2CCOCC2)cnn1CCBr.
What is the InChIKey of 2-(2-bromoethyl)-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is MLQZEJKCZOEGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c11-1-2-14-10(15)7-9(8-12-14)13-3-5-16-6-4-13/h7-8H,1-6H2.
What are the key properties of 2-(2-bromoethyl)-5-morpholin-4-ylpyridazin-3-one?
2-(2-bromoethyl)-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 288.15 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 114394260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).