5-iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one

C10H14IN3O2 — CID 114553455

IUPAC5-iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCN1CCOC(Cn2ncc(I)cc2=O)C1
InChIInChI=1S/C10H14IN3O2/c1-13-2-3-16-9(6-13)7-14-10(15)4-8(11)5-12-14/h4-5,9H,2-3,6-7H2,1H3
InChIKeyZZBJABQHIWMYIG-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.18
Rot. Bonds2

About 5-iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one

5-iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one (PubChem CID 114553455) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 5-iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one
PubChem CID114553455
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name5-iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCN1CCOC(Cn2ncc(I)cc2=O)C1
InChIInChI=1S/C10H14IN3O2/c1-13-2-3-16-9(6-13)7-14-10(15)4-8(11)5-12-14/h4-5,9H,2-3,6-7H2,1H3
InChIKeyZZBJABQHIWMYIG-UHFFFAOYSA-N
XLogP0.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
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-(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-Ethoxyethyl)-5-iodopyridazin-3-one
CID 114553305
5-Iodo-2-(oxan-2-ylmethyl)pyridazin-3-one
CID 114553306
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-(2-methoxyethyl)pyridazin-3-one
CID 114553498
2-[(4-Ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one
CID 114553615
5-Iodo-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one
CID 114553616
5-Iodo-2-(2-methoxypropyl)pyridazin-3-one
CID 114553632
2-(2-Butoxyethyl)-5-iodopyridazin-3-one
CID 114553643

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one (CID 114553455) is 5-iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one is CN1CCOC(Cn2ncc(I)cc2=O)C1.
What is the InChIKey of 5-iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one?
The InChIKey is ZZBJABQHIWMYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-13-2-3-16-9(6-13)7-14-10(15)4-8(11)5-12-14/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 5-iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one?
5-iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one has a molecular weight of 335.15 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 114553455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).