4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylmorpholine

C13H16F3N5O — CID 133367845

IUPAC4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylmorpholine
SMILESCc1c(N2CCOC(C)C2)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C13H16F3N5O/c1-7-6-20(4-5-22-7)11-9(3)8(2)10-17-18-12(13(14,15)16)21(10)19-11/h7H,4-6H2,1-3H3
InChIKeyWDLMOHBILXESNZ-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.99
Rot. Bonds1

About 4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylmorpholine

4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylmorpholine (PubChem CID 133367845) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is 4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylmorpholine
PubChem CID133367845
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC Name4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylmorpholine
SMILESCc1c(N2CCOC(C)C2)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C13H16F3N5O/c1-7-6-20(4-5-22-7)11-9(3)8(2)10-17-18-12(13(14,15)16)21(10)19-11/h7H,4-6H2,1-3H3
InChIKeyWDLMOHBILXESNZ-UHFFFAOYSA-N
XLogP1.99
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylmorpholine with MolForge

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Related Compounds

7,8-dimethyl-6-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133367639
1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine
CID 138019024
[4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-(furan-3-yl)methanone
CID 133388189
7,8-dimethyl-6-[3-(3-phenylpropoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 154863600
methyl 2-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
CID 133450295
7,8-dimethyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133367953
7,8-dimethyl-N-(2-phenyloxan-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133473979
4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine
CID 171392327
4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine
CID 79081430
2-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164596251
2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine
CID 133290493
N-[2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 133388279

Frequently Asked Questions

What is the IUPAC name of 4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylmorpholine?
The IUPAC name of 4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylmorpholine (CID 133367845) is 4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylmorpholine.
What is the SMILES notation for 4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylmorpholine?
The canonical SMILES for 4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylmorpholine is Cc1c(N2CCOC(C)C2)nn2c(C(F)(F)F)nnc2c1C.
What is the InChIKey of 4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylmorpholine?
The InChIKey is WDLMOHBILXESNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-7-6-20(4-5-22-7)11-9(3)8(2)10-17-18-12(13(14,15)16)21(10)19-11/h7H,4-6H2,1-3H3.
What are the key properties of 4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylmorpholine?
4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylmorpholine has a molecular weight of 315.30 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylmorpholine is sourced from PubChem (CID 133367845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).