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

C15H17F3N8 — CID 67340129

IUPAC6-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cncc1CN1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C15H17F3N8/c1-23-10-19-8-11(23)9-24-4-6-25(7-5-24)13-3-2-12-20-21-14(15(16,17)18)26(12)22-13/h2-3,8,10H,4-7,9H2,1H3
InChIKeyHSGPKTAMGBYZRR-UHFFFAOYSA-N
MW366.35 g/mol
LogP1.20
Rot. Bonds3

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

6-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 67340129) has the molecular formula C15H17F3N8 and a molecular weight of 366.35 g/mol. Its IUPAC name is 6-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID67340129
Molecular FormulaC15H17F3N8
Molecular Weight366.35 g/mol
Exact Mass366.15
IUPAC Name6-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cncc1CN1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C15H17F3N8/c1-23-10-19-8-11(23)9-24-4-6-25(7-5-24)13-3-2-12-20-21-14(15(16,17)18)26(12)22-13/h2-3,8,10H,4-7,9H2,1H3
InChIKeyHSGPKTAMGBYZRR-UHFFFAOYSA-N
XLogP1.20
TPSA67.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-[(3-methylimidazol-4-yl)methyl]piperazin-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

6-(1H-imidazol-1-yl)-3-(pentafluoroethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 1521583
5-(1-Methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyrimidin-5-ylmethyl)triazolo[4,5-b]pyrazine
CID 68288074
6-(1H-imidazol-1-yl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 713378
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-pyrazin-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 67258236
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-pyrimidin-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 71075555
N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 73353993
3-Methylpyrrolo[2,1-c][1,2,4]triazine
CID 58661804
5-Methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71595886
7-(4-Propylpiperazino)[1,2,4]triazolo[4,3-b]pyridazine
CID 53189614
6-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 53562047
3-Methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 53564433
6-[2-Methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 53567950

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 67340129) is 6-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cn1cncc1CN1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1.
What is the InChIKey of 6-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is HSGPKTAMGBYZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N8/c1-23-10-19-8-11(23)9-24-4-6-25(7-5-24)13-3-2-12-20-21-14(15(16,17)18)26(12)22-13/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 6-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 366.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 67340129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).