3-[4-(3-methylbutan-2-yldiazenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

C15H20N4O — CID 54549412

IUPAC3-[4-(3-methylbutan-2-yldiazenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)C(C)/N=N/c1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C15H20N4O/c1-10(2)11(3)16-17-13-6-4-12(5-7-13)14-8-9-15(20)19-18-14/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)/b17-16+
InChIKeyZIVMGUXUZFZXAA-WUKNDPDISA-N
MW272.35 g/mol
LogP3.43
Rot. Bonds4

About 3-[4-(3-methylbutan-2-yldiazenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(3-methylbutan-2-yldiazenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 54549412) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[4-(3-methylbutan-2-yldiazenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(3-methylbutan-2-yldiazenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID54549412
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[4-(3-methylbutan-2-yldiazenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)C(C)/N=N/c1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C15H20N4O/c1-10(2)11(3)16-17-13-6-4-12(5-7-13)14-8-9-15(20)19-18-14/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)/b17-16+
InChIKeyZIVMGUXUZFZXAA-WUKNDPDISA-N
XLogP3.43
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylbutan-2-yldiazenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(3-methylbutan-2-yldiazenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 54549412) is 3-[4-(3-methylbutan-2-yldiazenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(3-methylbutan-2-yldiazenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(3-methylbutan-2-yldiazenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is CC(C)C(C)/N=N/c1ccc(C2=NNC(=O)CC2)cc1.
What is the InChIKey of 3-[4-(3-methylbutan-2-yldiazenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is ZIVMGUXUZFZXAA-WUKNDPDISA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)11(3)16-17-13-6-4-12(5-7-13)14-8-9-15(20)19-18-14/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)/b17-16+.
What are the key properties of 3-[4-(3-methylbutan-2-yldiazenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(3-methylbutan-2-yldiazenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 272.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylbutan-2-yldiazenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 54549412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).