4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one

C12H12FN3O — CID 114391879

IUPAC4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one
SMILESO=c1cc(NCCc2ccc(F)cc2)cn[nH]1
InChIInChI=1S/C12H12FN3O/c13-10-3-1-9(2-4-10)5-6-14-11-7-12(17)16-15-8-11/h1-4,7-8H,5-6H2,(H2,14,16,17)
InChIKeyGRQQSROJEYMQDJ-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.56
Rot. Bonds4

About 4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one

4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one (PubChem CID 114391879) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one
PubChem CID114391879
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one
SMILESO=c1cc(NCCc2ccc(F)cc2)cn[nH]1
InChIInChI=1S/C12H12FN3O/c13-10-3-1-9(2-4-10)5-6-14-11-7-12(17)16-15-8-11/h1-4,7-8H,5-6H2,(H2,14,16,17)
InChIKeyGRQQSROJEYMQDJ-UHFFFAOYSA-N
XLogP1.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxypropylamino)-1H-pyridazin-6-one
CID 114391926
4-(benzylamino)-1H-pyridazin-6-one
CID 150739515
3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide
CID 114391962
4-(2-ethoxyethylamino)-1H-pyridazin-6-one
CID 114391849
5-amino-N-[2-(4-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 60808924
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine
CID 106750235
5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
CID 109223200
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
3-(4-chloroanilino)-4-[2-(4-fluorophenyl)ethylamino]cyclobut-3-ene-1,2-dione
CID 170609356
N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]furan-2-carboxamide
CID 113028255

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one?
The IUPAC name of 4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one (CID 114391879) is 4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one is O=c1cc(NCCc2ccc(F)cc2)cn[nH]1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one?
The InChIKey is GRQQSROJEYMQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-10-3-1-9(2-4-10)5-6-14-11-7-12(17)16-15-8-11/h1-4,7-8H,5-6H2,(H2,14,16,17).
What are the key properties of 4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one?
4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one has a molecular weight of 233.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 114391879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).