2-hexyl-5,6-diphenylpyridazin-3-one

C22H24N2O — CID 10882161

IUPAC2-hexyl-5,6-diphenylpyridazin-3-one
SMILESCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C22H24N2O/c1-2-3-4-11-16-24-21(25)17-20(18-12-7-5-8-13-18)22(23-24)19-14-9-6-10-15-19/h5-10,12-15,17H,2-4,11,16H2,1H3
InChIKeyKIBOVPDMJDFYFZ-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.16
Rot. Bonds7

About 2-hexyl-5,6-diphenylpyridazin-3-one

2-hexyl-5,6-diphenylpyridazin-3-one (PubChem CID 10882161) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-hexyl-5,6-diphenylpyridazin-3-one.

Molecular Properties

Compound Name2-hexyl-5,6-diphenylpyridazin-3-one
PubChem CID10882161
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name2-hexyl-5,6-diphenylpyridazin-3-one
SMILESCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C22H24N2O/c1-2-3-4-11-16-24-21(25)17-20(18-12-7-5-8-13-18)22(23-24)19-14-9-6-10-15-19/h5-10,12-15,17H,2-4,11,16H2,1H3
InChIKeyKIBOVPDMJDFYFZ-UHFFFAOYSA-N
XLogP5.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5,6-diphenylpyridazin-3-one
CID 139074783
1-nonyl-6-oxopyridazine-3-carboxylic acid
CID 114695797
6-heptylsulfanyl-3,4-diphenylpyridazine
CID 11035840
5-fluoro-1-heptyl-3-phenyl-1,2,4-triazole
CID 175254788
1-nonyl-7-phenylindole-2,3-dione
CID 508422
6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one
CID 59651906
2-octyl-6-pyridin-2-ylpyridazin-3-one
CID 70961886
N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938943
6-octylsulfinyl-3,4-diphenylpyridazine
CID 10971237
7,18-dioctyl-10,15,21,25-tetraphenyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
CID 102107213
3-nonylbenzo[f]benzotriazole-4,9-dione
CID 102140623
2-dodecyl-4-phenylisoindole-1,3-dione
CID 70429574

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-5,6-diphenylpyridazin-3-one?
The IUPAC name of 2-hexyl-5,6-diphenylpyridazin-3-one (CID 10882161) is 2-hexyl-5,6-diphenylpyridazin-3-one.
What is the SMILES notation for 2-hexyl-5,6-diphenylpyridazin-3-one?
The canonical SMILES for 2-hexyl-5,6-diphenylpyridazin-3-one is CCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)cc1=O.
What is the InChIKey of 2-hexyl-5,6-diphenylpyridazin-3-one?
The InChIKey is KIBOVPDMJDFYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-2-3-4-11-16-24-21(25)17-20(18-12-7-5-8-13-18)22(23-24)19-14-9-6-10-15-19/h5-10,12-15,17H,2-4,11,16H2,1H3.
What are the key properties of 2-hexyl-5,6-diphenylpyridazin-3-one?
2-hexyl-5,6-diphenylpyridazin-3-one has a molecular weight of 332.45 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5,6-diphenylpyridazin-3-one is sourced from PubChem (CID 10882161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).