6-(4-amino-2-fluorophenyl)-2,5-dimethylpyridazin-3-one

C12H12FN3O — CID 162519862

IUPAC6-(4-amino-2-fluorophenyl)-2,5-dimethylpyridazin-3-one
SMILESCc1cc(=O)n(C)nc1-c1ccc(N)cc1F
InChIInChI=1S/C12H12FN3O/c1-7-5-11(17)16(2)15-12(7)9-4-3-8(14)6-10(9)13/h3-6H,14H2,1-2H3
InChIKeyLVNKTXWJRRCMLW-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.48
Rot. Bonds1

About 6-(4-amino-2-fluorophenyl)-2,5-dimethylpyridazin-3-one

6-(4-amino-2-fluorophenyl)-2,5-dimethylpyridazin-3-one (PubChem CID 162519862) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 6-(4-amino-2-fluorophenyl)-2,5-dimethylpyridazin-3-one.

Molecular Properties

Compound Name6-(4-amino-2-fluorophenyl)-2,5-dimethylpyridazin-3-one
PubChem CID162519862
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name6-(4-amino-2-fluorophenyl)-2,5-dimethylpyridazin-3-one
SMILESCc1cc(=O)n(C)nc1-c1ccc(N)cc1F
InChIInChI=1S/C12H12FN3O/c1-7-5-11(17)16(2)15-12(7)9-4-3-8(14)6-10(9)13/h3-6H,14H2,1-2H3
InChIKeyLVNKTXWJRRCMLW-UHFFFAOYSA-N
XLogP1.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.48
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-(4-amino-2-fluorophenyl)-2,5-dimethylpyridazin-3-one?
The IUPAC name of 6-(4-amino-2-fluorophenyl)-2,5-dimethylpyridazin-3-one (CID 162519862) is 6-(4-amino-2-fluorophenyl)-2,5-dimethylpyridazin-3-one.
What is the SMILES notation for 6-(4-amino-2-fluorophenyl)-2,5-dimethylpyridazin-3-one?
The canonical SMILES for 6-(4-amino-2-fluorophenyl)-2,5-dimethylpyridazin-3-one is Cc1cc(=O)n(C)nc1-c1ccc(N)cc1F.
What is the InChIKey of 6-(4-amino-2-fluorophenyl)-2,5-dimethylpyridazin-3-one?
The InChIKey is LVNKTXWJRRCMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-7-5-11(17)16(2)15-12(7)9-4-3-8(14)6-10(9)13/h3-6H,14H2,1-2H3.
What are the key properties of 6-(4-amino-2-fluorophenyl)-2,5-dimethylpyridazin-3-one?
6-(4-amino-2-fluorophenyl)-2,5-dimethylpyridazin-3-one has a molecular weight of 233.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-2-fluorophenyl)-2,5-dimethylpyridazin-3-one is sourced from PubChem (CID 162519862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).