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

C12H14N4O — CID 154945851

IUPAC3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(C=NN)cc1
InChIInChI=1S/C12H14N4O/c1-8-6-11(17)15-16-12(8)10-4-2-9(3-5-10)7-14-13/h2-5,7-8H,6,13H2,1H3,(H,15,17)
InChIKeyOUWPFSDIXIQEIF-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.84
Rot. Bonds2

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

3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 154945851) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID154945851
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(C=NN)cc1
InChIInChI=1S/C12H14N4O/c1-8-6-11(17)15-16-12(8)10-4-2-9(3-5-10)7-14-13/h2-5,7-8H,6,13H2,1H3,(H,15,17)
InChIKeyOUWPFSDIXIQEIF-UHFFFAOYSA-N
XLogP0.84
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 154945851) is 3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1c1ccc(C=NN)cc1.
What is the InChIKey of 3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is OUWPFSDIXIQEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-6-11(17)15-16-12(8)10-4-2-9(3-5-10)7-14-13/h2-5,7-8H,6,13H2,1H3,(H,15,17).
What are the key properties of 3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 230.27 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 154945851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).