2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one

C13H14FN3O2 — CID 107523229

IUPAC2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(N)c2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3O2/c1-19-12-6-7-13(18)17(16-12)8-11(15)9-2-4-10(14)5-3-9/h2-7,11H,8,15H2,1H3
InChIKeyUVGLBEQPLWKEAC-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.09
Rot. Bonds4

About 2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one

2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one (PubChem CID 107523229) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one
PubChem CID107523229
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(N)c2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3O2/c1-19-12-6-7-13(18)17(16-12)8-11(15)9-2-4-10(14)5-3-9/h2-7,11H,8,15H2,1H3
InChIKeyUVGLBEQPLWKEAC-UHFFFAOYSA-N
XLogP1.09
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one
CID 105061939
2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one
CID 62849597
5-fluoro-2-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzenecarbothioamide
CID 105061811
2-(4-aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
2-[[3-(aminomethyl)-2-fluorophenyl]methyl]-6-methoxypyridazin-3-one
CID 107113943
6-methoxy-2-[2-(propylamino)pentyl]pyridazin-3-one
CID 105061674
1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine
CID 107522751
1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 16787972
3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 107522652
2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one
CID 130530939
2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one
CID 105061640
2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061918

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one (CID 107523229) is 2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(N)c2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one?
The InChIKey is UVGLBEQPLWKEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-19-12-6-7-13(18)17(16-12)8-11(15)9-2-4-10(14)5-3-9/h2-7,11H,8,15H2,1H3.
What are the key properties of 2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one?
2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one has a molecular weight of 263.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 107523229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).