ethane;3-methoxy-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]pyridazin-4-amine

C20H21F3N4O2 — CID 177245369

IUPACethane;3-methoxy-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]pyridazin-4-amine
SMILESCC.COc1nnc(-c2cc(OCc3cccc(C(F)(F)F)c3)ccn2)cc1N
InChIInChI=1S/C18H15F3N4O2.C2H6/c1-26-17-14(22)9-16(24-25-17)15-8-13(5-6-23-15)27-10-11-3-2-4-12(7-11)18(19,20)21;1-2/h2-9H,10H2,1H3,(H2,22,24);1-2H3
InChIKeyLKDWQEHCGDMOTL-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.75
Rot. Bonds5

About ethane;3-methoxy-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]pyridazin-4-amine

ethane;3-methoxy-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]pyridazin-4-amine (PubChem CID 177245369) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is ethane;3-methoxy-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]pyridazin-4-amine.

Molecular Properties

Compound Nameethane;3-methoxy-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]pyridazin-4-amine
PubChem CID177245369
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC Nameethane;3-methoxy-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]pyridazin-4-amine
SMILESCC.COc1nnc(-c2cc(OCc3cccc(C(F)(F)F)c3)ccn2)cc1N
InChIInChI=1S/C18H15F3N4O2.C2H6/c1-26-17-14(22)9-16(24-25-17)15-8-13(5-6-23-15)27-10-11-3-2-4-12(7-11)18(19,20)21;1-2/h2-9H,10H2,1H3,(H2,22,24);1-2H3
InChIKeyLKDWQEHCGDMOTL-UHFFFAOYSA-N
XLogP4.75
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;3-methoxy-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]pyridazin-4-amine 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

1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
N-[3-methoxy-6-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridazin-4-yl]ethanesulfonamide
CID 177245423
3-[[3-(trifluoromethyl)phenyl]methoxy]benzenecarbothioamide
CID 29016770
ethane;5-methyl-2H-tetrazole;1-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 143095246
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 29016755
2-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437803
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 60861273
N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine
CID 46873110
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]propan-1-amine;hydrochloride
CID 139814631
2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437992

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]pyridazin-4-amine?
The IUPAC name of ethane;3-methoxy-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]pyridazin-4-amine (CID 177245369) is ethane;3-methoxy-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]pyridazin-4-amine.
What is the SMILES notation for ethane;3-methoxy-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]pyridazin-4-amine?
The canonical SMILES for ethane;3-methoxy-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]pyridazin-4-amine is CC.COc1nnc(-c2cc(OCc3cccc(C(F)(F)F)c3)ccn2)cc1N.
What is the InChIKey of ethane;3-methoxy-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]pyridazin-4-amine?
The InChIKey is LKDWQEHCGDMOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2.C2H6/c1-26-17-14(22)9-16(24-25-17)15-8-13(5-6-23-15)27-10-11-3-2-4-12(7-11)18(19,20)21;1-2/h2-9H,10H2,1H3,(H2,22,24);1-2H3.
What are the key properties of ethane;3-methoxy-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]pyridazin-4-amine?
ethane;3-methoxy-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]pyridazin-4-amine has a molecular weight of 406.41 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]pyridazin-4-amine is sourced from PubChem (CID 177245369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).