3-(4-pentylphenyl)-3H-pyridazin-6-one

C15H18N2O — CID 78202526

IUPAC3-(4-pentylphenyl)-3H-pyridazin-6-one
SMILESCCCCCc1ccc(C2C=CC(=O)N=N2)cc1
InChIInChI=1S/C15H18N2O/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-11-15(18)17-16-14/h6-11,14H,2-5H2,1H3
InChIKeyJTRHQHQXHDCANS-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.01
Rot. Bonds5

About 3-(4-pentylphenyl)-3H-pyridazin-6-one

3-(4-pentylphenyl)-3H-pyridazin-6-one (PubChem CID 78202526) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(4-pentylphenyl)-3H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-pentylphenyl)-3H-pyridazin-6-one
PubChem CID78202526
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-(4-pentylphenyl)-3H-pyridazin-6-one
SMILESCCCCCc1ccc(C2C=CC(=O)N=N2)cc1
InChIInChI=1S/C15H18N2O/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-11-15(18)17-16-14/h6-11,14H,2-5H2,1H3
InChIKeyJTRHQHQXHDCANS-UHFFFAOYSA-N
XLogP4.01
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3,6-bis(4-butylphenyl)-1,2,4,5-tetraoxane
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5-methyl-2-(4-pentylphenyl)cyclohexan-1-one
CID 23041298
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene
CID 18650649
4-pentyl-2-(4-pentylphenyl)-1,3-dioxane
CID 23041374
CID 57470906
CID 57470906
1-methyl-4-octylbenzene
CID 11052746
calcium;hydride;4-tetradecylphenol
CID 174582359
(4-decylphenyl)-trimethylsilane
CID 69331769

Frequently Asked Questions

What is the IUPAC name of 3-(4-pentylphenyl)-3H-pyridazin-6-one?
The IUPAC name of 3-(4-pentylphenyl)-3H-pyridazin-6-one (CID 78202526) is 3-(4-pentylphenyl)-3H-pyridazin-6-one.
What is the SMILES notation for 3-(4-pentylphenyl)-3H-pyridazin-6-one?
The canonical SMILES for 3-(4-pentylphenyl)-3H-pyridazin-6-one is CCCCCc1ccc(C2C=CC(=O)N=N2)cc1.
What is the InChIKey of 3-(4-pentylphenyl)-3H-pyridazin-6-one?
The InChIKey is JTRHQHQXHDCANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-11-15(18)17-16-14/h6-11,14H,2-5H2,1H3.
What are the key properties of 3-(4-pentylphenyl)-3H-pyridazin-6-one?
3-(4-pentylphenyl)-3H-pyridazin-6-one has a molecular weight of 242.32 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pentylphenyl)-3H-pyridazin-6-one is sourced from PubChem (CID 78202526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).