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

C10H12IN3O3 — CID 114553686

IUPAC5-iodo-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
SMILESO=C(Cn1ncc(I)cc1=O)N1CCOCC1
InChIInChI=1S/C10H12IN3O3/c11-8-5-9(15)14(12-6-8)7-10(16)13-1-3-17-4-2-13/h5-6H,1-4,7H2
InChIKeyNZRZYBWKEKOBAX-UHFFFAOYSA-N
MW349.13 g/mol
LogP-0.29
Rot. Bonds2

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

5-iodo-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one (PubChem CID 114553686) has the molecular formula C10H12IN3O3 and a molecular weight of 349.13 g/mol. Its IUPAC name is 5-iodo-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
PubChem CID114553686
Molecular FormulaC10H12IN3O3
Molecular Weight349.13 g/mol
Exact Mass348.99
IUPAC Name5-iodo-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
SMILESO=C(Cn1ncc(I)cc1=O)N1CCOCC1
InChIInChI=1S/C10H12IN3O3/c11-8-5-9(15)14(12-6-8)7-10(16)13-1-3-17-4-2-13/h5-6H,1-4,7H2
InChIKeyNZRZYBWKEKOBAX-UHFFFAOYSA-N
XLogP-0.29
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.13
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
The IUPAC name of 5-iodo-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one (CID 114553686) is 5-iodo-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
The canonical SMILES for 5-iodo-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one is O=C(Cn1ncc(I)cc1=O)N1CCOCC1.
What is the InChIKey of 5-iodo-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
The InChIKey is NZRZYBWKEKOBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O3/c11-8-5-9(15)14(12-6-8)7-10(16)13-1-3-17-4-2-13/h5-6H,1-4,7H2.
What are the key properties of 5-iodo-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
5-iodo-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one has a molecular weight of 349.13 g/mol, XLogP of -0.29, 2 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-yl-2-oxoethyl)pyridazin-3-one is sourced from PubChem (CID 114553686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).