6-(4-chlorophenyl)-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one

C14H17ClN2O2 — CID 606707

IUPAC6-(4-chlorophenyl)-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one
SMILESCCC(O)CN1N=C(c2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C14H17ClN2O2/c1-2-12(18)9-17-14(19)8-7-13(16-17)10-3-5-11(15)6-4-10/h3-6,12,18H,2,7-9H2,1H3
InChIKeyHEZIJIXYVAGBBM-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.44
Rot. Bonds4

About 6-(4-chlorophenyl)-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one

6-(4-chlorophenyl)-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one (PubChem CID 606707) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one
PubChem CID606707
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name6-(4-chlorophenyl)-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one
SMILESCCC(O)CN1N=C(c2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C14H17ClN2O2/c1-2-12(18)9-17-14(19)8-7-13(16-17)10-3-5-11(15)6-4-10/h3-6,12,18H,2,7-9H2,1H3
InChIKeyHEZIJIXYVAGBBM-UHFFFAOYSA-N
XLogP2.44
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one (CID 606707) is 6-(4-chlorophenyl)-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one is CCC(O)CN1N=C(c2ccc(Cl)cc2)CCC1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one?
The InChIKey is HEZIJIXYVAGBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-2-12(18)9-17-14(19)8-7-13(16-17)10-3-5-11(15)6-4-10/h3-6,12,18H,2,7-9H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one?
6-(4-chlorophenyl)-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one has a molecular weight of 280.75 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(2-hydroxybutyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 606707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).