5-iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one

C12H18IN3O — CID 107913287

IUPAC5-iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
SMILESCN1CCCCC1CCn1ncc(I)cc1=O
InChIInChI=1S/C12H18IN3O/c1-15-6-3-2-4-11(15)5-7-16-12(17)8-10(13)9-14-16/h8-9,11H,2-7H2,1H3
InChIKeyANCULOGRDNBIBQ-UHFFFAOYSA-N
MW347.20 g/mol
LogP1.72
Rot. Bonds3

About 5-iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one

5-iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one (PubChem CID 107913287) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 5-iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
PubChem CID107913287
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name5-iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
SMILESCN1CCCCC1CCn1ncc(I)cc1=O
InChIInChI=1S/C12H18IN3O/c1-15-6-3-2-4-11(15)5-7-16-12(17)8-10(13)9-14-16/h8-9,11H,2-7H2,1H3
InChIKeyANCULOGRDNBIBQ-UHFFFAOYSA-N
XLogP1.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Propan-2-ylpiperidin-4-yl)pyridazin-3-one
CID 142781731
5-(dimethylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3(2H)-one
CID 72844544
5-(dimethylamino)-2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridazin-3-one
CID 97188203
5-(dimethylamino)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridazin-3-one
CID 97188204
5-Iodo-2-pentan-2-ylpyridazin-3-one
CID 107885709
2-Decyl-5-iodopyridazin-3-one
CID 113600155
2-Hexyl-5-iodopyridazin-3-one
CID 114553314
5-Iodo-2-octylpyridazin-3-one
CID 114553315
2-Cyclohexyl-5-iodopyridazin-3-one
CID 114553319
2-Heptyl-5-iodopyridazin-3-one
CID 114553370
2-Dodecyl-5-iodopyridazin-3-one
CID 114553371
5-Iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one
CID 114553384

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one?
The IUPAC name of 5-iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one (CID 107913287) is 5-iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 5-iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one is CN1CCCCC1CCn1ncc(I)cc1=O.
What is the InChIKey of 5-iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one?
The InChIKey is ANCULOGRDNBIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-15-6-3-2-4-11(15)5-7-16-12(17)8-10(13)9-14-16/h8-9,11H,2-7H2,1H3.
What are the key properties of 5-iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one?
5-iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one has a molecular weight of 347.20 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 107913287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).