2-amino-1-phenyl-4H-pyridazin-3-one

C10H11N3O — CID 70049600

IUPAC2-amino-1-phenyl-4H-pyridazin-3-one
SMILESNN1C(=O)CC=CN1c1ccccc1
InChIInChI=1S/C10H11N3O/c11-13-10(14)7-4-8-12(13)9-5-2-1-3-6-9/h1-6,8H,7,11H2
InChIKeyPYBZUWHTGDCWSL-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.03
Rot. Bonds1

About 2-amino-1-phenyl-4H-pyridazin-3-one

2-amino-1-phenyl-4H-pyridazin-3-one (PubChem CID 70049600) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-amino-1-phenyl-4H-pyridazin-3-one.

Molecular Properties

Compound Name2-amino-1-phenyl-4H-pyridazin-3-one
PubChem CID70049600
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-amino-1-phenyl-4H-pyridazin-3-one
SMILESNN1C(=O)CC=CN1c1ccccc1
InChIInChI=1S/C10H11N3O/c11-13-10(14)7-4-8-12(13)9-5-2-1-3-6-9/h1-6,8H,7,11H2
InChIKeyPYBZUWHTGDCWSL-UHFFFAOYSA-N
XLogP1.03
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenyl-4H-pyridazin-3-one?
The IUPAC name of 2-amino-1-phenyl-4H-pyridazin-3-one (CID 70049600) is 2-amino-1-phenyl-4H-pyridazin-3-one.
What is the SMILES notation for 2-amino-1-phenyl-4H-pyridazin-3-one?
The canonical SMILES for 2-amino-1-phenyl-4H-pyridazin-3-one is NN1C(=O)CC=CN1c1ccccc1.
What is the InChIKey of 2-amino-1-phenyl-4H-pyridazin-3-one?
The InChIKey is PYBZUWHTGDCWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-13-10(14)7-4-8-12(13)9-5-2-1-3-6-9/h1-6,8H,7,11H2.
What are the key properties of 2-amino-1-phenyl-4H-pyridazin-3-one?
2-amino-1-phenyl-4H-pyridazin-3-one has a molecular weight of 189.22 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-phenyl-4H-pyridazin-3-one is sourced from PubChem (CID 70049600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).