6-(4-chlorophenyl)-2-pentan-2-ylpyridazin-3-one

C15H17ClN2O — CID 67658767

IUPAC6-(4-chlorophenyl)-2-pentan-2-ylpyridazin-3-one
SMILESCCCC(C)n1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C15H17ClN2O/c1-3-4-11(2)18-15(19)10-9-14(17-18)12-5-7-13(16)8-6-12/h5-11H,3-4H2,1-2H3
InChIKeyIWYNRXUYQXJCFX-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.92
Rot. Bonds4

About 6-(4-chlorophenyl)-2-pentan-2-ylpyridazin-3-one

6-(4-chlorophenyl)-2-pentan-2-ylpyridazin-3-one (PubChem CID 67658767) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-pentan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-pentan-2-ylpyridazin-3-one
PubChem CID67658767
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name6-(4-chlorophenyl)-2-pentan-2-ylpyridazin-3-one
SMILESCCCC(C)n1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C15H17ClN2O/c1-3-4-11(2)18-15(19)10-9-14(17-18)12-5-7-13(16)8-6-12/h5-11H,3-4H2,1-2H3
InChIKeyIWYNRXUYQXJCFX-UHFFFAOYSA-N
XLogP3.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-pentan-2-ylpyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-pentan-2-ylpyridazin-3-one (CID 67658767) is 6-(4-chlorophenyl)-2-pentan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-pentan-2-ylpyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-pentan-2-ylpyridazin-3-one is CCCC(C)n1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-pentan-2-ylpyridazin-3-one?
The InChIKey is IWYNRXUYQXJCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-4-11(2)18-15(19)10-9-14(17-18)12-5-7-13(16)8-6-12/h5-11H,3-4H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-2-pentan-2-ylpyridazin-3-one?
6-(4-chlorophenyl)-2-pentan-2-ylpyridazin-3-one has a molecular weight of 276.77 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-pentan-2-ylpyridazin-3-one is sourced from PubChem (CID 67658767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).