6-(3-aminophenyl)-2-(2-fluoroethyl)pyridazin-3-one

C12H12FN3O — CID 126843867

IUPAC6-(3-aminophenyl)-2-(2-fluoroethyl)pyridazin-3-one
SMILESNc1cccc(-c2ccc(=O)n(CCF)n2)c1
InChIInChI=1S/C12H12FN3O/c13-6-7-16-12(17)5-4-11(15-16)9-2-1-3-10(14)8-9/h1-5,8H,6-7,14H2
InChIKeyPYNFCOVLSQPJGC-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.46
Rot. Bonds3

About 6-(3-aminophenyl)-2-(2-fluoroethyl)pyridazin-3-one

6-(3-aminophenyl)-2-(2-fluoroethyl)pyridazin-3-one (PubChem CID 126843867) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 6-(3-aminophenyl)-2-(2-fluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3-aminophenyl)-2-(2-fluoroethyl)pyridazin-3-one
PubChem CID126843867
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name6-(3-aminophenyl)-2-(2-fluoroethyl)pyridazin-3-one
SMILESNc1cccc(-c2ccc(=O)n(CCF)n2)c1
InChIInChI=1S/C12H12FN3O/c13-6-7-16-12(17)5-4-11(15-16)9-2-1-3-10(14)8-9/h1-5,8H,6-7,14H2
InChIKeyPYNFCOVLSQPJGC-UHFFFAOYSA-N
XLogP1.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-2-(2-fluoroethyl)pyridazin-3-one?
The IUPAC name of 6-(3-aminophenyl)-2-(2-fluoroethyl)pyridazin-3-one (CID 126843867) is 6-(3-aminophenyl)-2-(2-fluoroethyl)pyridazin-3-one.
What is the SMILES notation for 6-(3-aminophenyl)-2-(2-fluoroethyl)pyridazin-3-one?
The canonical SMILES for 6-(3-aminophenyl)-2-(2-fluoroethyl)pyridazin-3-one is Nc1cccc(-c2ccc(=O)n(CCF)n2)c1.
What is the InChIKey of 6-(3-aminophenyl)-2-(2-fluoroethyl)pyridazin-3-one?
The InChIKey is PYNFCOVLSQPJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-6-7-16-12(17)5-4-11(15-16)9-2-1-3-10(14)8-9/h1-5,8H,6-7,14H2.
What are the key properties of 6-(3-aminophenyl)-2-(2-fluoroethyl)pyridazin-3-one?
6-(3-aminophenyl)-2-(2-fluoroethyl)pyridazin-3-one has a molecular weight of 233.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-2-(2-fluoroethyl)pyridazin-3-one is sourced from PubChem (CID 126843867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).