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

C18H19F3N6 — CID 1479660

IUPAC6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cccc(C)c1N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C18H19F3N6/c1-12-4-3-5-13(2)16(12)26-10-8-25(9-11-26)15-7-6-14-22-23-17(18(19,20)21)27(14)24-15/h3-7H,8-11H2,1-2H3
InChIKeyFZCLCZFKPUJXFM-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.09
Rot. Bonds2

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

6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 1479660) has the molecular formula C18H19F3N6 and a molecular weight of 376.39 g/mol. Its IUPAC name is 6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID1479660
Molecular FormulaC18H19F3N6
Molecular Weight376.39 g/mol
Exact Mass376.16
IUPAC Name6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cccc(C)c1N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C18H19F3N6/c1-12-4-3-5-13(2)16(12)26-10-8-25(9-11-26)15-7-6-14-22-23-17(18(19,20)21)27(14)24-15/h3-7H,8-11H2,1-2H3
InChIKeyFZCLCZFKPUJXFM-UHFFFAOYSA-N
XLogP3.09
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

Dapiprazole
CID 3033538
3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
CID 107950
Dapiprazole Hydrochloride
CID 6917787
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10361208
Jnj-42153605
CID 49765871
3-(3-Methyl-1,2,4-thiadiazole-5-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperazino]pyridazine
CID 11811590
3-[3-(Dimethylamino)1,2,4-thiadiazole-5-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazino]pyridazine
CID 19608312
DPP-4 inhibitor 3
CID 155524302
VU0080241
CID 3260619
5-[6-[4-[3,5-Bis(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-thiadiazole
CID 44269624
3-Methyl-5-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole
CID 44269639
6-[4-[2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 623376

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 1479660) is 6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cccc(C)c1N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1.
What is the InChIKey of 6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is FZCLCZFKPUJXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6/c1-12-4-3-5-13(2)16(12)26-10-8-25(9-11-26)15-7-6-14-22-23-17(18(19,20)21)27(14)24-15/h3-7H,8-11H2,1-2H3.
What are the key properties of 6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 376.39 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 1479660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).