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

C₁₂H₁₄N₄O — CID 154945851

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 Name: 3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
• PubChem CID: 154945851
• Molecular Formula: C₁₂H₁₄N₄O
• Molecular Weight: 230.27 g/mol
• Exact Mass: 230.12
• IUPAC Name: 3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
• SMILES: CC1CC(=O)NN=C1c1ccc(C=NN)cc1
• InChI: 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)
• InChIKey: OUWPFSDIXIQEIF-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 79.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.27
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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'}

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).

Sources

• PubChem CID 154945851 — identifiers, structure, computed properties (public domain)

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