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

C12H18IN3O2 — CID 114553674

IUPAC5-iodo-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCC(C)N1CCOC(Cn2ncc(I)cc2=O)C1
InChIInChI=1S/C12H18IN3O2/c1-9(2)15-3-4-18-11(7-15)8-16-12(17)5-10(13)6-14-16/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyRYEYWZJXVNBLBY-UHFFFAOYSA-N
MW363.20 g/mol
LogP0.96
Rot. Bonds3

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

5-iodo-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one (PubChem CID 114553674) has the molecular formula C12H18IN3O2 and a molecular weight of 363.20 g/mol. Its IUPAC name is 5-iodo-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
PubChem CID114553674
Molecular FormulaC12H18IN3O2
Molecular Weight363.20 g/mol
Exact Mass363.04
IUPAC Name5-iodo-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCC(C)N1CCOC(Cn2ncc(I)cc2=O)C1
InChIInChI=1S/C12H18IN3O2/c1-9(2)15-3-4-18-11(7-15)8-16-12(17)5-10(13)6-14-16/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyRYEYWZJXVNBLBY-UHFFFAOYSA-N
XLogP0.96
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 50.96
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-(2-Aminoethoxy)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
CID 103222736
5-(2-Aminopropoxy)-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one
CID 103223055
5-(2-Aminopropoxy)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
CID 103223065
5-Amino-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
CID 113789647
5-Iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 114553393
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
2-[(4-Ethylmorpholin-2-yl)methyl]-5-iodopyridazin-3-one
CID 114553615
5-Iodo-2-(2-methoxypropyl)pyridazin-3-one
CID 114553632
5-Iodo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one
CID 114553656

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-iodo-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one (CID 114553674) is 5-iodo-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-iodo-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one is CC(C)N1CCOC(Cn2ncc(I)cc2=O)C1.
What is the InChIKey of 5-iodo-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one?
The InChIKey is RYEYWZJXVNBLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O2/c1-9(2)15-3-4-18-11(7-15)8-16-12(17)5-10(13)6-14-16/h5-6,9,11H,3-4,7-8H2,1-2H3.
What are the key properties of 5-iodo-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one?
5-iodo-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one has a molecular weight of 363.20 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 114553674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).