6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C13H16F3N5 — CID 59149727

IUPAC6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C13H16F3N5/c1-2-9-5-7-20(8-6-9)11-4-3-10-17-18-12(13(14,15)16)21(10)19-11/h3-4,9H,2,5-8H2,1H3
InChIKeyMMBALBAUCFPVPL-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.77
Rot. Bonds2

About 6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 59149727) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is 6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID59149727
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC Name6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C13H16F3N5/c1-2-9-5-7-20(8-6-9)11-4-3-10-17-18-12(13(14,15)16)21(10)19-11/h3-4,9H,2,5-8H2,1H3
InChIKeyMMBALBAUCFPVPL-UHFFFAOYSA-N
XLogP2.77
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[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

3-(Heptafluoropropyl)-6-(morpholin-4-yl)[1,2,4]triazolo[4,3-b]pyridazine
CID 607388
Zindotrine
CID 41856
6-(3-Methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 2807627
6-Azepan-1-yl-3-trifluoromethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 650433
3-Methyl-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
3-Methyl-6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazine
CID 869844
N-[(4-aminocyclohexyl)methyl]-3-ethyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 164626006
1-[3-(Trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylic acid
CID 16227291
3-Methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 910090
6-(1-Pyrrolidinyl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 1476857
3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]butane-1,2-diamine
CID 24680587
N,3-dimethyl-N-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 164614401

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 59149727) is 6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is CCC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1.
What is the InChIKey of 6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is MMBALBAUCFPVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-2-9-5-7-20(8-6-9)11-4-3-10-17-18-12(13(14,15)16)21(10)19-11/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 299.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 59149727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).