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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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).