5-ethyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine

C13H14F3N3O — CID 64690741

IUPAC5-ethyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine
SMILESCCC1CC(N)=NN=C1c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H14F3N3O/c1-2-8-7-11(17)18-19-12(8)9-5-3-4-6-10(9)20-13(14,15)16/h3-6,8H,2,7H2,1H3,(H2,17,18)
InChIKeyZRLKNUWMMFEBOP-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.08
Rot. Bonds3

About 5-ethyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine

5-ethyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine (PubChem CID 64690741) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 5-ethyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Name5-ethyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine
PubChem CID64690741
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name5-ethyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine
SMILESCCC1CC(N)=NN=C1c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H14F3N3O/c1-2-8-7-11(17)18-19-12(8)9-5-3-4-6-10(9)20-13(14,15)16/h3-6,8H,2,7H2,1H3,(H2,17,18)
InChIKeyZRLKNUWMMFEBOP-UHFFFAOYSA-N
XLogP3.08
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine?
The IUPAC name of 5-ethyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine (CID 64690741) is 5-ethyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for 5-ethyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine?
The canonical SMILES for 5-ethyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine is CCC1CC(N)=NN=C1c1ccccc1OC(F)(F)F.
What is the InChIKey of 5-ethyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine?
The InChIKey is ZRLKNUWMMFEBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-2-8-7-11(17)18-19-12(8)9-5-3-4-6-10(9)20-13(14,15)16/h3-6,8H,2,7H2,1H3,(H2,17,18).
What are the key properties of 5-ethyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine?
5-ethyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine has a molecular weight of 285.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[2-(trifluoromethoxy)phenyl]-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 64690741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).