5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one

C13H14FN3O — CID 103218930

IUPAC5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
SMILESCCNc1cnn(Cc2ccc(F)cc2)c(=O)c1
InChIInChI=1S/C13H14FN3O/c1-2-15-12-7-13(18)17(16-8-12)9-10-3-5-11(14)6-4-10/h3-8,15H,2,9H2,1H3
InChIKeyAVPJHPJAFJRVIW-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.86
Rot. Bonds4

About 5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one

5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 103218930) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
PubChem CID103218930
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
SMILESCCNc1cnn(Cc2ccc(F)cc2)c(=O)c1
InChIInChI=1S/C13H14FN3O/c1-2-15-12-7-13(18)17(16-8-12)9-10-3-5-11(14)6-4-10/h3-8,15H,2,9H2,1H3
InChIKeyAVPJHPJAFJRVIW-UHFFFAOYSA-N
XLogP1.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 103218894
2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one
CID 97016085
2-[(3,4-difluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223667
2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one
CID 103218866
2-[(3-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223669
2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218654
2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220063
5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 103218535
5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103219189
2-[(2-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223620
2-[2-(dimethylamino)ethyl]-5-(ethylamino)pyridazin-3-one
CID 103219051
2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
CID 103219479

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one (CID 103218930) is 5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one is CCNc1cnn(Cc2ccc(F)cc2)c(=O)c1.
What is the InChIKey of 5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is AVPJHPJAFJRVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-2-15-12-7-13(18)17(16-8-12)9-10-3-5-11(14)6-4-10/h3-8,15H,2,9H2,1H3.
What are the key properties of 5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 247.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103218930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).