2-cyclohexyl-5-iodopyridazin-3-one

C10H13IN2O — CID 114553319

IUPAC2-cyclohexyl-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1C1CCCCC1
InChIInChI=1S/C10H13IN2O/c11-8-6-10(14)13(12-7-8)9-4-2-1-3-5-9/h6-7,9H,1-5H2
InChIKeyRRIDBGZVARIKRN-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.35
Rot. Bonds1

About 2-cyclohexyl-5-iodopyridazin-3-one

2-cyclohexyl-5-iodopyridazin-3-one (PubChem CID 114553319) has the molecular formula C10H13IN2O and a molecular weight of 304.13 g/mol. Its IUPAC name is 2-cyclohexyl-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-cyclohexyl-5-iodopyridazin-3-one
PubChem CID114553319
Molecular FormulaC10H13IN2O
Molecular Weight304.13 g/mol
Exact Mass304.01
IUPAC Name2-cyclohexyl-5-iodopyridazin-3-one
SMILESO=c1cc(I)cnn1C1CCCCC1
InChIInChI=1S/C10H13IN2O/c11-8-6-10(14)13(12-7-8)9-4-2-1-3-5-9/h6-7,9H,1-5H2
InChIKeyRRIDBGZVARIKRN-UHFFFAOYSA-N
XLogP2.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.35
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

2-Cyclohexyl-2,3-dihydropyridazin-3-one
CID 70313378
5-Iodo-2-propan-2-ylpyridazin-3-one
CID 114553312
2-(2-Cyclohexylethyl)-5-iodopyridazin-3-one
CID 117793727
5-Chloro-2-cyclohexylpyridazin-3-one
CID 85963945
2-Hept-6-enyl-5-iodopyridazin-3-one
CID 107009997
5-Iodo-2-pentan-2-ylpyridazin-3-one
CID 107885709
5-Iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
CID 107913287
2-Decyl-5-iodopyridazin-3-one
CID 113600155
2-Butan-2-yl-5-iodopyridazin-3-one
CID 114553310
2-(2-Ethylcyclohexyl)-5-iodopyridazin-3-one
CID 114553311
2-Butyl-5-iodopyridazin-3-one
CID 114553313
2-Hexyl-5-iodopyridazin-3-one
CID 114553314

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-iodopyridazin-3-one?
The IUPAC name of 2-cyclohexyl-5-iodopyridazin-3-one (CID 114553319) is 2-cyclohexyl-5-iodopyridazin-3-one.
What is the SMILES notation for 2-cyclohexyl-5-iodopyridazin-3-one?
The canonical SMILES for 2-cyclohexyl-5-iodopyridazin-3-one is O=c1cc(I)cnn1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-5-iodopyridazin-3-one?
The InChIKey is RRIDBGZVARIKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O/c11-8-6-10(14)13(12-7-8)9-4-2-1-3-5-9/h6-7,9H,1-5H2.
What are the key properties of 2-cyclohexyl-5-iodopyridazin-3-one?
2-cyclohexyl-5-iodopyridazin-3-one has a molecular weight of 304.13 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-iodopyridazin-3-one is sourced from PubChem (CID 114553319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).