5-iodo-2-propan-2-ylpyridazin-3-one

C7H9IN2O — CID 114553312

IUPAC5-iodo-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(I)cc1=O
InChIInChI=1S/C7H9IN2O/c1-5(2)10-7(11)3-6(8)4-9-10/h3-5H,1-2H3
InChIKeyAPWHQWZOSBXDAY-UHFFFAOYSA-N
MW264.07 g/mol
LogP1.43
Rot. Bonds1

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

5-iodo-2-propan-2-ylpyridazin-3-one (PubChem CID 114553312) has the molecular formula C7H9IN2O and a molecular weight of 264.07 g/mol. Its IUPAC name is 5-iodo-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-propan-2-ylpyridazin-3-one
PubChem CID114553312
Molecular FormulaC7H9IN2O
Molecular Weight264.07 g/mol
Exact Mass263.98
IUPAC Name5-iodo-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(I)cc1=O
InChIInChI=1S/C7H9IN2O/c1-5(2)10-7(11)3-6(8)4-9-10/h3-5H,1-2H3
InChIKeyAPWHQWZOSBXDAY-UHFFFAOYSA-N
XLogP1.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 5-iodo-2-propan-2-ylpyridazin-3-one (CID 114553312) is 5-iodo-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 5-iodo-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 5-iodo-2-propan-2-ylpyridazin-3-one is CC(C)n1ncc(I)cc1=O.
What is the InChIKey of 5-iodo-2-propan-2-ylpyridazin-3-one?
The InChIKey is APWHQWZOSBXDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O/c1-5(2)10-7(11)3-6(8)4-9-10/h3-5H,1-2H3.
What are the key properties of 5-iodo-2-propan-2-ylpyridazin-3-one?
5-iodo-2-propan-2-ylpyridazin-3-one has a molecular weight of 264.07 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 114553312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).