5-hydrazinyl-2-methyl-4-phenylpyridazin-3-one

C11H12N4O — CID 86101491

IUPAC5-hydrazinyl-2-methyl-4-phenylpyridazin-3-one
SMILESCn1ncc(NN)c(-c2ccccc2)c1=O
InChIInChI=1S/C11H12N4O/c1-15-11(16)10(9(14-12)7-13-15)8-5-3-2-4-6-8/h2-7,14H,12H2,1H3
InChIKeyQKROOCFNNNLASP-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.73
Rot. Bonds2

About 5-hydrazinyl-2-methyl-4-phenylpyridazin-3-one

5-hydrazinyl-2-methyl-4-phenylpyridazin-3-one (PubChem CID 86101491) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-hydrazinyl-2-methyl-4-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-hydrazinyl-2-methyl-4-phenylpyridazin-3-one
PubChem CID86101491
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name5-hydrazinyl-2-methyl-4-phenylpyridazin-3-one
SMILESCn1ncc(NN)c(-c2ccccc2)c1=O
InChIInChI=1S/C11H12N4O/c1-15-11(16)10(9(14-12)7-13-15)8-5-3-2-4-6-8/h2-7,14H,12H2,1H3
InChIKeyQKROOCFNNNLASP-UHFFFAOYSA-N
XLogP0.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-hydrazinyl-2-methyl-4-phenylpyridazin-3-one?
The IUPAC name of 5-hydrazinyl-2-methyl-4-phenylpyridazin-3-one (CID 86101491) is 5-hydrazinyl-2-methyl-4-phenylpyridazin-3-one.
What is the SMILES notation for 5-hydrazinyl-2-methyl-4-phenylpyridazin-3-one?
The canonical SMILES for 5-hydrazinyl-2-methyl-4-phenylpyridazin-3-one is Cn1ncc(NN)c(-c2ccccc2)c1=O.
What is the InChIKey of 5-hydrazinyl-2-methyl-4-phenylpyridazin-3-one?
The InChIKey is QKROOCFNNNLASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15-11(16)10(9(14-12)7-13-15)8-5-3-2-4-6-8/h2-7,14H,12H2,1H3.
What are the key properties of 5-hydrazinyl-2-methyl-4-phenylpyridazin-3-one?
5-hydrazinyl-2-methyl-4-phenylpyridazin-3-one has a molecular weight of 216.24 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-2-methyl-4-phenylpyridazin-3-one is sourced from PubChem (CID 86101491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).