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

C10H14BrN3O2 — CID 19245617

IUPAC4-bromo-2-ethyl-5-morpholin-4-ylpyridazin-3-one
SMILESCCn1ncc(N2CCOCC2)c(Br)c1=O
InChIInChI=1S/C10H14BrN3O2/c1-2-14-10(15)9(11)8(7-12-14)13-3-5-16-6-4-13/h7H,2-6H2,1H3
InChIKeyPBUWKRBKAWJIAR-UHFFFAOYSA-N
MW288.15 g/mol
LogP0.86
Rot. Bonds2

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

4-bromo-2-ethyl-5-morpholin-4-ylpyridazin-3-one (PubChem CID 19245617) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.15 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-morpholin-4-ylpyridazin-3-one
PubChem CID19245617
Molecular FormulaC10H14BrN3O2
Molecular Weight288.15 g/mol
Exact Mass287.03
IUPAC Name4-bromo-2-ethyl-5-morpholin-4-ylpyridazin-3-one
SMILESCCn1ncc(N2CCOCC2)c(Br)c1=O
InChIInChI=1S/C10H14BrN3O2/c1-2-14-10(15)9(11)8(7-12-14)13-3-5-16-6-4-13/h7H,2-6H2,1H3
InChIKeyPBUWKRBKAWJIAR-UHFFFAOYSA-N
XLogP0.86
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-ethyl-5-morpholino-3(2H)-pyridazinone
CID 2769265
[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-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one;ethane
CID 143090951
4-Bromo-5-(morpholin-4-yl)pyridazin-3(2h)-one
CID 248671
4-Bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one
CID 14176298
methyl [5-bromo-4-(morpholin-4-yl)-6-oxopyridazin-1(6H)-yl]acetate
CID 16763810

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-morpholin-4-ylpyridazin-3-one (CID 19245617) is 4-bromo-2-ethyl-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-morpholin-4-ylpyridazin-3-one is CCn1ncc(N2CCOCC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethyl-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is PBUWKRBKAWJIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-2-14-10(15)9(11)8(7-12-14)13-3-5-16-6-4-13/h7H,2-6H2,1H3.
What are the key properties of 4-bromo-2-ethyl-5-morpholin-4-ylpyridazin-3-one?
4-bromo-2-ethyl-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 288.15 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 19245617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).