6-[4-(4-ethoxyphenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

C19H22F3N5O — CID 123433116

IUPAC6-[4-(4-ethoxyphenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCOc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1
InChIInChI=1S/C19H22F3N5O/c1-2-28-15-5-3-13(4-6-15)14-9-11-26(12-10-14)17-8-7-16-23-24-18(19(20,21)22)27(16)25-17/h3-6,14H,2,7-12H2,1H3
InChIKeyGFTWMDRZJSHSKF-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.68
Rot. Bonds3

About 6-[4-(4-ethoxyphenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-(4-ethoxyphenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 123433116) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is 6-[4-(4-ethoxyphenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-(4-ethoxyphenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID123433116
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC Name6-[4-(4-ethoxyphenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCOc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1
InChIInChI=1S/C19H22F3N5O/c1-2-28-15-5-3-13(4-6-15)14-9-11-26(12-10-14)17-8-7-16-23-24-18(19(20,21)22)27(16)25-17/h3-6,14H,2,7-12H2,1H3
InChIKeyGFTWMDRZJSHSKF-UHFFFAOYSA-N
XLogP3.68
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-(4-ethoxyphenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine 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

Azd 3514
CID 46893585
7-[2-(4-tert-butylphenoxy)ethyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 53579712
3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine
CID 53608720
3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-(3-phenoxypropyl)piperidine
CID 53609700
3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine
CID 53612987
3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 53620335
4-[2-[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethoxy]benzonitrile
CID 53620666
3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-[2-(3-fluorophenoxy)ethyl]piperidine
CID 53620670
3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-[3-(4-fluorophenoxy)propyl]piperidine
CID 53625709
3-cyclopropyl-7-(3-naphthalen-2-yloxypropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 72140318
2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-4-[2-(4-methoxyphenyl)ethyl]morpholine
CID 72141718
3-(4-Methoxyphenethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 91889160

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethoxyphenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-(4-ethoxyphenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (CID 123433116) is 6-[4-(4-ethoxyphenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-(4-ethoxyphenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-(4-ethoxyphenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is CCOc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1.
What is the InChIKey of 6-[4-(4-ethoxyphenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is GFTWMDRZJSHSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c1-2-28-15-5-3-13(4-6-15)14-9-11-26(12-10-14)17-8-7-16-23-24-18(19(20,21)22)27(16)25-17/h3-6,14H,2,7-12H2,1H3.
What are the key properties of 6-[4-(4-ethoxyphenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-(4-ethoxyphenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 393.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethoxyphenyl)piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 123433116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).