2-(4-aminophenyl)-1,5-dihydropyridazin-6-one

C10H11N3O — CID 70352764

IUPAC2-(4-aminophenyl)-1,5-dihydropyridazin-6-one
SMILESNc1ccc(N2C=CCC(=O)N2)cc1
InChIInChI=1S/C10H11N3O/c11-8-3-5-9(6-4-8)13-7-1-2-10(14)12-13/h1,3-7H,2,11H2,(H,12,14)
InChIKeyPKQJZMYABPYFHM-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.02
Rot. Bonds1

About 2-(4-aminophenyl)-1,5-dihydropyridazin-6-one

2-(4-aminophenyl)-1,5-dihydropyridazin-6-one (PubChem CID 70352764) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1,5-dihydropyridazin-6-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-1,5-dihydropyridazin-6-one
PubChem CID70352764
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(4-aminophenyl)-1,5-dihydropyridazin-6-one
SMILESNc1ccc(N2C=CCC(=O)N2)cc1
InChIInChI=1S/C10H11N3O/c11-8-3-5-9(6-4-8)13-7-1-2-10(14)12-13/h1,3-7H,2,11H2,(H,12,14)
InChIKeyPKQJZMYABPYFHM-UHFFFAOYSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1,5-dihydropyridazin-6-one?
The IUPAC name of 2-(4-aminophenyl)-1,5-dihydropyridazin-6-one (CID 70352764) is 2-(4-aminophenyl)-1,5-dihydropyridazin-6-one.
What is the SMILES notation for 2-(4-aminophenyl)-1,5-dihydropyridazin-6-one?
The canonical SMILES for 2-(4-aminophenyl)-1,5-dihydropyridazin-6-one is Nc1ccc(N2C=CCC(=O)N2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1,5-dihydropyridazin-6-one?
The InChIKey is PKQJZMYABPYFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-8-3-5-9(6-4-8)13-7-1-2-10(14)12-13/h1,3-7H,2,11H2,(H,12,14).
What are the key properties of 2-(4-aminophenyl)-1,5-dihydropyridazin-6-one?
2-(4-aminophenyl)-1,5-dihydropyridazin-6-one has a molecular weight of 189.22 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 2-(4-aminophenyl)-1,5-dihydropyridazin-6-one is sourced from PubChem (CID 70352764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).