methyl 2-(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate

C11H14BrN3O4 — CID 16763810

IUPACmethyl 2-(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate
SMILESCOC(=O)Cn1ncc(N2CCOCC2)c(Br)c1=O
InChIInChI=1S/C11H14BrN3O4/c1-18-9(16)7-15-11(17)10(12)8(6-13-15)14-2-4-19-5-3-14/h6H,2-5,7H2,1H3
InChIKeyTVWLRCTYWTVJBS-UHFFFAOYSA-N
MW332.15 g/mol
LogP0.02
Rot. Bonds3

About methyl 2-(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate

methyl 2-(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate (PubChem CID 16763810) has the molecular formula C11H14BrN3O4 and a molecular weight of 332.15 g/mol. Its IUPAC name is methyl 2-(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate
PubChem CID16763810
Molecular FormulaC11H14BrN3O4
Molecular Weight332.15 g/mol
Exact Mass331.02
IUPAC Namemethyl 2-(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate
SMILESCOC(=O)Cn1ncc(N2CCOCC2)c(Br)c1=O
InChIInChI=1S/C11H14BrN3O4/c1-18-9(16)7-15-11(17)10(12)8(6-13-15)14-2-4-19-5-3-14/h6H,2-5,7H2,1H3
InChIKeyTVWLRCTYWTVJBS-UHFFFAOYSA-N
XLogP0.02
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 ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate?
The IUPAC name of methyl 2-(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate (CID 16763810) is methyl 2-(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate?
The canonical SMILES for methyl 2-(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate is COC(=O)Cn1ncc(N2CCOCC2)c(Br)c1=O.
What is the InChIKey of methyl 2-(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate?
The InChIKey is TVWLRCTYWTVJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O4/c1-18-9(16)7-15-11(17)10(12)8(6-13-15)14-2-4-19-5-3-14/h6H,2-5,7H2,1H3.
What are the key properties of methyl 2-(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate?
methyl 2-(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate has a molecular weight of 332.15 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromo-4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 16763810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).