5-iodo-2-pentan-2-ylpyridazin-3-one

C9H13IN2O — CID 107885709

IUPAC5-iodo-2-pentan-2-ylpyridazin-3-one
SMILESCCCC(C)n1ncc(I)cc1=O
InChIInChI=1S/C9H13IN2O/c1-3-4-7(2)12-9(13)5-8(10)6-11-12/h5-7H,3-4H2,1-2H3
InChIKeyRDAXBJRONUYHHD-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.21
Rot. Bonds3

About 5-iodo-2-pentan-2-ylpyridazin-3-one

5-iodo-2-pentan-2-ylpyridazin-3-one (PubChem CID 107885709) has the molecular formula C9H13IN2O and a molecular weight of 292.12 g/mol. Its IUPAC name is 5-iodo-2-pentan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-pentan-2-ylpyridazin-3-one
PubChem CID107885709
Molecular FormulaC9H13IN2O
Molecular Weight292.12 g/mol
Exact Mass292.01
IUPAC Name5-iodo-2-pentan-2-ylpyridazin-3-one
SMILESCCCC(C)n1ncc(I)cc1=O
InChIInChI=1S/C9H13IN2O/c1-3-4-7(2)12-9(13)5-8(10)6-11-12/h5-7H,3-4H2,1-2H3
InChIKeyRDAXBJRONUYHHD-UHFFFAOYSA-N
XLogP2.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Iodo-2-(4,4,4-trifluorobutyl)pyridazin-3-one
CID 114553552
2-(3-Fluoropropyl)-5-iodopyridazin-3-one
CID 114553726
2-Butan-2-ylpyridazin-3-one
CID 66921964
2-Pentylpyridazin-3-one
CID 69248716
5-Iodo-2-propan-2-ylpyridazin-3-one
CID 114553312
2-Hexan-2-ylpyridazin-3-one
CID 165135892
5-Iodo-2-(1-methylazetidin-3-yl)pyridazin-3-one
CID 170092839
2-Cyclopropyl-5-iodopyridazin-3-one
CID 176240277
2-Cyclobutyl-4,5-diiodopyridazin-3(2H)-one
CID 99983573
2-Hept-6-enyl-5-iodopyridazin-3-one
CID 107009997
5-Iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
CID 107913287
2-Decyl-5-iodopyridazin-3-one
CID 113600155

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-pentan-2-ylpyridazin-3-one?
The IUPAC name of 5-iodo-2-pentan-2-ylpyridazin-3-one (CID 107885709) is 5-iodo-2-pentan-2-ylpyridazin-3-one.
What is the SMILES notation for 5-iodo-2-pentan-2-ylpyridazin-3-one?
The canonical SMILES for 5-iodo-2-pentan-2-ylpyridazin-3-one is CCCC(C)n1ncc(I)cc1=O.
What is the InChIKey of 5-iodo-2-pentan-2-ylpyridazin-3-one?
The InChIKey is RDAXBJRONUYHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O/c1-3-4-7(2)12-9(13)5-8(10)6-11-12/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-iodo-2-pentan-2-ylpyridazin-3-one?
5-iodo-2-pentan-2-ylpyridazin-3-one has a molecular weight of 292.12 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-pentan-2-ylpyridazin-3-one is sourced from PubChem (CID 107885709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).