3-(4-hydrazinylphenyl)-4-methyl-1H-pyridazin-6-one

C11H12N4O — CID 22744395

IUPAC3-(4-hydrazinylphenyl)-4-methyl-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1-c1ccc(NN)cc1
InChIInChI=1S/C11H12N4O/c1-7-6-10(16)14-15-11(7)8-2-4-9(13-12)5-3-8/h2-6,13H,12H2,1H3,(H,14,16)
InChIKeyFVTHDBGLGNPRCR-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.03
Rot. Bonds2

About 3-(4-hydrazinylphenyl)-4-methyl-1H-pyridazin-6-one

3-(4-hydrazinylphenyl)-4-methyl-1H-pyridazin-6-one (PubChem CID 22744395) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(4-hydrazinylphenyl)-4-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-hydrazinylphenyl)-4-methyl-1H-pyridazin-6-one
PubChem CID22744395
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-(4-hydrazinylphenyl)-4-methyl-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1-c1ccc(NN)cc1
InChIInChI=1S/C11H12N4O/c1-7-6-10(16)14-15-11(7)8-2-4-9(13-12)5-3-8/h2-6,13H,12H2,1H3,(H,14,16)
InChIKeyFVTHDBGLGNPRCR-UHFFFAOYSA-N
XLogP1.03
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-hydrazinylphenyl)-4-methyl-1H-pyridazin-6-one?
The IUPAC name of 3-(4-hydrazinylphenyl)-4-methyl-1H-pyridazin-6-one (CID 22744395) is 3-(4-hydrazinylphenyl)-4-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-hydrazinylphenyl)-4-methyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-hydrazinylphenyl)-4-methyl-1H-pyridazin-6-one is Cc1cc(=O)[nH]nc1-c1ccc(NN)cc1.
What is the InChIKey of 3-(4-hydrazinylphenyl)-4-methyl-1H-pyridazin-6-one?
The InChIKey is FVTHDBGLGNPRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7-6-10(16)14-15-11(7)8-2-4-9(13-12)5-3-8/h2-6,13H,12H2,1H3,(H,14,16).
What are the key properties of 3-(4-hydrazinylphenyl)-4-methyl-1H-pyridazin-6-one?
3-(4-hydrazinylphenyl)-4-methyl-1H-pyridazin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydrazinylphenyl)-4-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 22744395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).