3-(4-pentylphenyl)-4,5-dihydro-1H-pyridazin-6-one

C15H20N2O — CID 2861872

IUPAC3-(4-pentylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCCCCc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C15H20N2O/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-11-15(18)17-16-14/h6-9H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyIYFBULXWPSREDE-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.03
Rot. Bonds5

About 3-(4-pentylphenyl)-4,5-dihydro-1H-pyridazin-6-one

3-(4-pentylphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 2861872) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(4-pentylphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-pentylphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID2861872
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(4-pentylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCCCCc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C15H20N2O/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-11-15(18)17-16-14/h6-9H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyIYFBULXWPSREDE-UHFFFAOYSA-N
XLogP3.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(4-pentylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(4-pentylphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 2861872) is 3-(4-pentylphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-pentylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-pentylphenyl)-4,5-dihydro-1H-pyridazin-6-one is CCCCCc1ccc(C2=NNC(=O)CC2)cc1.
What is the InChIKey of 3-(4-pentylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is IYFBULXWPSREDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-11-15(18)17-16-14/h6-9H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of 3-(4-pentylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(4-pentylphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 244.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pentylphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 2861872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).