2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one

C12H12FN3O2 — CID 82421915

IUPAC2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
SMILESCNCc1nn(-c2cccc(F)c2)c(=O)cc1O
InChIInChI=1S/C12H12FN3O2/c1-14-7-10-11(17)6-12(18)16(15-10)9-4-2-3-8(13)5-9/h2-6,14,17H,7H2,1H3
InChIKeyXZTXZDXOXCEAAX-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.80
Rot. Bonds3

About 2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one

2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one (PubChem CID 82421915) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
PubChem CID82421915
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
SMILESCNCc1nn(-c2cccc(F)c2)c(=O)cc1O
InChIInChI=1S/C12H12FN3O2/c1-14-7-10-11(17)6-12(18)16(15-10)9-4-2-3-8(13)5-9/h2-6,14,17H,7H2,1H3
InChIKeyXZTXZDXOXCEAAX-UHFFFAOYSA-N
XLogP0.80
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one
CID 82421930
6-(ethylaminomethyl)-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one
CID 82421725
6-[(butan-2-ylamino)methyl]-2-(3,4-difluorophenyl)-5-hydroxypyridazin-3-one
CID 82420910
2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
CID 82420505
2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one
CID 83889917
2-[1-(3,4-difluorophenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetonitrile
CID 82420912
6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one
CID 82421061
2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one
CID 82421632
1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine
CID 78987307
6-[(cyclopropylamino)methyl]-2-(2,5-difluorophenyl)-5-hydroxypyridazin-3-one
CID 82421558
1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine
CID 42871509
2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine
CID 79224863

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one?
The IUPAC name of 2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one (CID 82421915) is 2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one.
What is the SMILES notation for 2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one?
The canonical SMILES for 2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one is CNCc1nn(-c2cccc(F)c2)c(=O)cc1O.
What is the InChIKey of 2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one?
The InChIKey is XZTXZDXOXCEAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-14-7-10-11(17)6-12(18)16(15-10)9-4-2-3-8(13)5-9/h2-6,14,17H,7H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one?
2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one has a molecular weight of 249.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one is sourced from PubChem (CID 82421915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).