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

C8H9F3N4 — CID 176983728

IUPAC6-ethyl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCC1=Nn2c(nnc2C(F)(F)F)CC1
InChIInChI=1S/C8H9F3N4/c1-2-5-3-4-6-12-13-7(8(9,10)11)15(6)14-5/h2-4H2,1H3
InChIKeyPWGPWFQRYGUOFN-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.86
Rot. Bonds1

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

6-ethyl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 176983728) has the molecular formula C8H9F3N4 and a molecular weight of 218.18 g/mol. Its IUPAC name is 6-ethyl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-ethyl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID176983728
Molecular FormulaC8H9F3N4
Molecular Weight218.18 g/mol
Exact Mass218.08
IUPAC Name6-ethyl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCC1=Nn2c(nnc2C(F)(F)F)CC1
InChIInChI=1S/C8H9F3N4/c1-2-5-3-4-6-12-13-7(8(9,10)11)15(6)14-5/h2-4H2,1H3
InChIKeyPWGPWFQRYGUOFN-UHFFFAOYSA-N
XLogP1.86
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-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

1-(2-Chloropropan-2-yl)-5-pentyl-3-(trifluoromethyl)-1,2,4-triazole
CID 10401599
6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole
CID 22944551
6-Propan-2-yl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
CID 177123243
1-[3-(1,1-Difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidine
CID 149737696
3-Hexyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,2,4-triazole
CID 150282244
3-Butyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1,2,4-triazole
CID 151682538
3-Butyl-5-methyl-4-(trifluoromethyl)-1,2,4-triazole
CID 151854031
5-Butyl-4-(trifluoromethyl)-1,2,4-triazole-3-carbonitrile
CID 152193284
3-Chloro-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
CID 91449121

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-ethyl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (CID 176983728) is 6-ethyl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-ethyl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-ethyl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is CCC1=Nn2c(nnc2C(F)(F)F)CC1.
What is the InChIKey of 6-ethyl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is PWGPWFQRYGUOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4/c1-2-5-3-4-6-12-13-7(8(9,10)11)15(6)14-5/h2-4H2,1H3.
What are the key properties of 6-ethyl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
6-ethyl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 218.18 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 176983728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).