2-[2-(4-fluoroanilino)ethyl]pyridazin-3-one

C12H12FN3O — CID 62851214

IUPAC2-[2-(4-fluoroanilino)ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCNc1ccc(F)cc1
InChIInChI=1S/C12H12FN3O/c13-10-3-5-11(6-4-10)14-8-9-16-12(17)2-1-7-15-16/h1-7,14H,8-9H2
InChIKeyYEGNASZHSNUFPG-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.49
Rot. Bonds4

About 2-[2-(4-fluoroanilino)ethyl]pyridazin-3-one

2-[2-(4-fluoroanilino)ethyl]pyridazin-3-one (PubChem CID 62851214) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)ethyl]pyridazin-3-one
PubChem CID62851214
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-[2-(4-fluoroanilino)ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCNc1ccc(F)cc1
InChIInChI=1S/C12H12FN3O/c13-10-3-5-11(6-4-10)14-8-9-16-12(17)2-1-7-15-16/h1-7,14H,8-9H2
InChIKeyYEGNASZHSNUFPG-UHFFFAOYSA-N
XLogP1.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 62850666
2-(fluoromethyl)pyridazin-3-one
CID 140988504
2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226761
3-(6-oxopyridazin-1-yl)propanoic acid
CID 62850301
N-[2-(benzotriazol-1-yl)ethyl]-4-fluoroaniline
CID 55087842
2-[3-(methylamino)butyl]pyridazin-3-one
CID 62849068
N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 42226776
N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
CID 62848889
N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 42226747
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one
CID 62849985
4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 19626118
2-[2-(2-hydroxyethoxy)ethyl]pyridazin-3-one
CID 62849613

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(4-fluoroanilino)ethyl]pyridazin-3-one (CID 62851214) is 2-[2-(4-fluoroanilino)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(4-fluoroanilino)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(4-fluoroanilino)ethyl]pyridazin-3-one is O=c1cccnn1CCNc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluoroanilino)ethyl]pyridazin-3-one?
The InChIKey is YEGNASZHSNUFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-10-3-5-11(6-4-10)14-8-9-16-12(17)2-1-7-15-16/h1-7,14H,8-9H2.
What are the key properties of 2-[2-(4-fluoroanilino)ethyl]pyridazin-3-one?
2-[2-(4-fluoroanilino)ethyl]pyridazin-3-one has a molecular weight of 233.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)ethyl]pyridazin-3-one is sourced from PubChem (CID 62851214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).