(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl acetate

C11H14BrN3O4 — CID 1477952

IUPAC(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl acetate
SMILESCC(=O)OCn1ncc(N2CCOCC2)c(Br)c1=O
InChIInChI=1S/C11H14BrN3O4/c1-8(16)19-7-15-11(17)10(12)9(6-13-15)14-2-4-18-5-3-14/h6H,2-5,7H2,1H3
InChIKeyICKBKARYVKMFFT-UHFFFAOYSA-N
MW332.15 g/mol
LogP0.36
Rot. Bonds3

About (5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl acetate

(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl acetate (PubChem CID 1477952) has the molecular formula C11H14BrN3O4 and a molecular weight of 332.15 g/mol. Its IUPAC name is (5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl acetate.

Molecular Properties

Compound Name(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl acetate
PubChem CID1477952
Molecular FormulaC11H14BrN3O4
Molecular Weight332.15 g/mol
Exact Mass331.02
IUPAC Name(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl acetate
SMILESCC(=O)OCn1ncc(N2CCOCC2)c(Br)c1=O
InChIInChI=1S/C11H14BrN3O4/c1-8(16)19-7-15-11(17)10(12)9(6-13-15)14-2-4-18-5-3-14/h6H,2-5,7H2,1H3
InChIKeyICKBKARYVKMFFT-UHFFFAOYSA-N
XLogP0.36
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl acetate?
The IUPAC name of (5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl acetate (CID 1477952) is (5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl acetate.
What is the SMILES notation for (5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl acetate?
The canonical SMILES for (5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl acetate is CC(=O)OCn1ncc(N2CCOCC2)c(Br)c1=O.
What is the InChIKey of (5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl acetate?
The InChIKey is ICKBKARYVKMFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O4/c1-8(16)19-7-15-11(17)10(12)9(6-13-15)14-2-4-18-5-3-14/h6H,2-5,7H2,1H3.
What are the key properties of (5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl acetate?
(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl acetate has a molecular weight of 332.15 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl acetate is sourced from PubChem (CID 1477952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).