4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one

C13H14FN3O — CID 82444034

IUPAC4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one
SMILESCC(N)c1cc(-c2ccc(F)cc2)nn(C)c1=O
InChIInChI=1S/C13H14FN3O/c1-8(15)11-7-12(16-17(2)13(11)18)9-3-5-10(14)6-4-9/h3-8H,15H2,1-2H3
InChIKeyDULZCVKICWTELY-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.61
Rot. Bonds2

About 4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one

4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one (PubChem CID 82444034) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one
PubChem CID82444034
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one
SMILESCC(N)c1cc(-c2ccc(F)cc2)nn(C)c1=O
InChIInChI=1S/C13H14FN3O/c1-8(15)11-7-12(16-17(2)13(11)18)9-3-5-10(14)6-4-9/h3-8H,15H2,1-2H3
InChIKeyDULZCVKICWTELY-UHFFFAOYSA-N
XLogP1.61
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one
CID 82444027
4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one
CID 82447529
3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl chloride
CID 83381357
3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one
CID 84623500
6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one
CID 82444010
1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine
CID 114420287
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
CID 82519555
ethyl 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
CID 26597179
6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447358
2-chloro-1-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanone
CID 134085993
(1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 94781728

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one?
The IUPAC name of 4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one (CID 82444034) is 4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one is CC(N)c1cc(-c2ccc(F)cc2)nn(C)c1=O.
What is the InChIKey of 4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one?
The InChIKey is DULZCVKICWTELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8(15)11-7-12(16-17(2)13(11)18)9-3-5-10(14)6-4-9/h3-8H,15H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one?
4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one has a molecular weight of 247.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 82444034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).