3-(4-aminophenyl)-1H-pyridazin-6-one

C10H9N3O — CID 10867082

IUPAC3-(4-aminophenyl)-1H-pyridazin-6-one
SMILESNc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C10H9N3O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,11H2,(H,13,14)
InChIKeyGOAZSGLSVJVOLX-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.02
Rot. Bonds1

About 3-(4-aminophenyl)-1H-pyridazin-6-one

3-(4-aminophenyl)-1H-pyridazin-6-one (PubChem CID 10867082) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-1H-pyridazin-6-one
PubChem CID10867082
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name3-(4-aminophenyl)-1H-pyridazin-6-one
SMILESNc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C10H9N3O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,11H2,(H,13,14)
InChIKeyGOAZSGLSVJVOLX-UHFFFAOYSA-N
XLogP1.02
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-aminophenyl)-1H-pyridazin-6-one (CID 10867082) is 3-(4-aminophenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-aminophenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-aminophenyl)-1H-pyridazin-6-one is Nc1ccc(-c2ccc(=O)[nH]n2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1H-pyridazin-6-one?
The InChIKey is GOAZSGLSVJVOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,11H2,(H,13,14).
What are the key properties of 3-(4-aminophenyl)-1H-pyridazin-6-one?
3-(4-aminophenyl)-1H-pyridazin-6-one has a molecular weight of 187.20 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 10867082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).