4-bromo-5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one

C11H14BrN3O3 — CID 1479792

IUPAC4-bromo-5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1ncc(N2CCOCC2)c(Br)c1=O
InChIInChI=1S/C11H14BrN3O3/c1-8(16)7-15-11(17)10(12)9(6-13-15)14-2-4-18-5-3-14/h6H,2-5,7H2,1H3
InChIKeyYMSWXZGMTLEYOX-UHFFFAOYSA-N
MW316.16 g/mol
LogP0.43
Rot. Bonds3

About 4-bromo-5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one

4-bromo-5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one (PubChem CID 1479792) has the molecular formula C11H14BrN3O3 and a molecular weight of 316.16 g/mol. Its IUPAC name is 4-bromo-5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
PubChem CID1479792
Molecular FormulaC11H14BrN3O3
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC Name4-bromo-5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1ncc(N2CCOCC2)c(Br)c1=O
InChIInChI=1S/C11H14BrN3O3/c1-8(16)7-15-11(17)10(12)9(6-13-15)14-2-4-18-5-3-14/h6H,2-5,7H2,1H3
InChIKeyYMSWXZGMTLEYOX-UHFFFAOYSA-N
XLogP0.43
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one?
The IUPAC name of 4-bromo-5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one (CID 1479792) is 4-bromo-5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 4-bromo-5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 4-bromo-5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one is CC(=O)Cn1ncc(N2CCOCC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one?
The InChIKey is YMSWXZGMTLEYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3/c1-8(16)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 4-bromo-5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one?
4-bromo-5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one has a molecular weight of 316.16 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 1479792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).