2-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one

C11H16IN3O2 — CID 114553615

IUPAC2-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one
SMILESCCN1CCOC(Cn2ncc(I)cc2=O)C1
InChIInChI=1S/C11H16IN3O2/c1-2-14-3-4-17-10(7-14)8-15-11(16)5-9(12)6-13-15/h5-6,10H,2-4,7-8H2,1H3
InChIKeyUPTSXWHOPYNLHY-UHFFFAOYSA-N
MW349.17 g/mol
LogP0.57
Rot. Bonds3

About 2-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one

2-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one (PubChem CID 114553615) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 2-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one
PubChem CID114553615
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name2-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one
SMILESCCN1CCOC(Cn2ncc(I)cc2=O)C1
InChIInChI=1S/C11H16IN3O2/c1-2-14-3-4-17-10(7-14)8-15-11(16)5-9(12)6-13-15/h5-6,10H,2-4,7-8H2,1H3
InChIKeyUPTSXWHOPYNLHY-UHFFFAOYSA-N
XLogP0.57
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 50.57
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-(3-methoxypropoxy)ethyl]pyridazin-3-one
CID 103182082
5-(2-Aminoethoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one
CID 103222834
5-(2-Aminoethoxy)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
CID 103222844
5-Iodo-2-(2-propoxyethyl)pyridazin-3-one
CID 106455796
2-(2-Ethoxyethyl)-5-iodopyridazin-3-one
CID 114553305
5-Iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 114553393
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-methoxypropyl)pyridazin-3-one
CID 114553632
2-(2-Butoxyethyl)-5-iodopyridazin-3-one
CID 114553643
5-Iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one
CID 114553656
5-Iodo-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
CID 114553674

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one?
The IUPAC name of 2-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one (CID 114553615) is 2-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one.
What is the SMILES notation for 2-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one?
The canonical SMILES for 2-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one is CCN1CCOC(Cn2ncc(I)cc2=O)C1.
What is the InChIKey of 2-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one?
The InChIKey is UPTSXWHOPYNLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-2-14-3-4-17-10(7-14)8-15-11(16)5-9(12)6-13-15/h5-6,10H,2-4,7-8H2,1H3.
What are the key properties of 2-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one?
2-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one has a molecular weight of 349.17 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one is sourced from PubChem (CID 114553615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).