5-iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one

C10H14IN3O2 — CID 114553393

IUPAC5-iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one
SMILESO=c1cc(I)cnn1CCN1CCOCC1
InChIInChI=1S/C10H14IN3O2/c11-9-7-10(15)14(12-8-9)2-1-13-3-5-16-6-4-13/h7-8H,1-6H2
InChIKeyWLPBNGHMXVGNMS-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.18
Rot. Bonds3

About 5-iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one

5-iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one (PubChem CID 114553393) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 5-iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one
PubChem CID114553393
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name5-iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one
SMILESO=c1cc(I)cnn1CCN1CCOCC1
InChIInChI=1S/C10H14IN3O2/c11-9-7-10(15)14(12-8-9)2-1-13-3-5-16-6-4-13/h7-8H,1-6H2
InChIKeyWLPBNGHMXVGNMS-UHFFFAOYSA-N
XLogP0.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 114553648
2-[2-(Morpholin-4-yl)ethyl]-2,3-dihydropyridazin-3-one
CID 126851094
2-(2-morpholino-2-oxoethyl)pyridazin-3(2H)-one
CID 45548889
5-Iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
CID 103182082
5-Iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106455795
5-Iodo-2-(2-propoxyethyl)pyridazin-3-one
CID 106455796
2-(2-Azidoethyl)-5-morpholin-4-ylpyridazin-3-one
CID 114396843
2-(2-Ethoxyethyl)-5-iodopyridazin-3-one
CID 114553305
5-Iodo-2-(1-methoxypropan-2-yl)pyridazin-3-one
CID 114553408
5-Iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one
CID 114553434
5-Iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one
CID 114553455
5-Iodo-2-(2-methoxyethyl)pyridazin-3-one
CID 114553498

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one?
The IUPAC name of 5-iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one (CID 114553393) is 5-iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one?
The canonical SMILES for 5-iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one is O=c1cc(I)cnn1CCN1CCOCC1.
What is the InChIKey of 5-iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one?
The InChIKey is WLPBNGHMXVGNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c11-9-7-10(15)14(12-8-9)2-1-13-3-5-16-6-4-13/h7-8H,1-6H2.
What are the key properties of 5-iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one?
5-iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one has a molecular weight of 335.15 g/mol, XLogP of 0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one is sourced from PubChem (CID 114553393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).