5-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one

C11H14IN3O3 — CID 114553656

IUPAC5-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one
SMILESCC(C(=O)N1CCOCC1)n1ncc(I)cc1=O
InChIInChI=1S/C11H14IN3O3/c1-8(11(17)14-2-4-18-5-3-14)15-10(16)6-9(12)7-13-15/h6-8H,2-5H2,1H3
InChIKeyUXJRFDRTDDVQSU-UHFFFAOYSA-N
MW363.16 g/mol
LogP0.27
Rot. Bonds2

About 5-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one

5-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one (PubChem CID 114553656) has the molecular formula C11H14IN3O3 and a molecular weight of 363.16 g/mol. Its IUPAC name is 5-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one
PubChem CID114553656
Molecular FormulaC11H14IN3O3
Molecular Weight363.16 g/mol
Exact Mass363.01
IUPAC Name5-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one
SMILESCC(C(=O)N1CCOCC1)n1ncc(I)cc1=O
InChIInChI=1S/C11H14IN3O3/c1-8(11(17)14-2-4-18-5-3-14)15-10(16)6-9(12)7-13-15/h6-8H,2-5H2,1H3
InChIKeyUXJRFDRTDDVQSU-UHFFFAOYSA-N
XLogP0.27
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-morpholino-2-oxoethyl)pyridazin-3(2H)-one
CID 45548889
5-Iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one
CID 114553384
5-Iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 114553393
2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 114553428
5-Iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one
CID 114553455
2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylpropanamide
CID 114553549
2-[(4-Ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one
CID 114553615
5-Iodo-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
CID 114553674
5-Iodo-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 114553686
2-(1-(2,6-dimethylmorpholino)-1-oxopropan-2-yl)pyridazin-3(2H)-one
CID 121079642

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one?
The IUPAC name of 5-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one (CID 114553656) is 5-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one?
The canonical SMILES for 5-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one is CC(C(=O)N1CCOCC1)n1ncc(I)cc1=O.
What is the InChIKey of 5-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one?
The InChIKey is UXJRFDRTDDVQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O3/c1-8(11(17)14-2-4-18-5-3-14)15-10(16)6-9(12)7-13-15/h6-8H,2-5H2,1H3.
What are the key properties of 5-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one?
5-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one has a molecular weight of 363.16 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one is sourced from PubChem (CID 114553656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).