1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C17H20F3N7O — CID 120854798

IUPAC1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCc1nc(C2(N)CCCC2)no1
InChIInChI=1S/C17H20F3N7O/c1-9-11(10(2)27-15(22-9)24-14(25-27)17(18,19)20)5-6-12-23-13(26-28-12)16(21)7-3-4-8-16/h3-8,21H2,1-2H3
InChIKeyWLLLLTGDLMREFL-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.66
Rot. Bonds4

About 1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120854798) has the molecular formula C17H20F3N7O and a molecular weight of 395.39 g/mol. Its IUPAC name is 1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120854798
Molecular FormulaC17H20F3N7O
Molecular Weight395.39 g/mol
Exact Mass395.17
IUPAC Name1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCc1nc(C2(N)CCCC2)no1
InChIInChI=1S/C17H20F3N7O/c1-9-11(10(2)27-15(22-9)24-14(25-27)17(18,19)20)5-6-12-23-13(26-28-12)16(21)7-3-4-8-16/h3-8,21H2,1-2H3
InChIKeyWLLLLTGDLMREFL-UHFFFAOYSA-N
XLogP2.66
TPSA108.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine with MolForge

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Related Compounds

1-[5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858666
1-(3,5-dimethylpiperidin-1-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-one
CID 51265492
1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850191
1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852375
6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 129255443
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 55485650
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 24563683
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-one
CID 120660207
1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62504830
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859920
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
1-[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856305

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120854798) is 1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCc1nc(C2(N)CCCC2)no1.
What is the InChIKey of 1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is WLLLLTGDLMREFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N7O/c1-9-11(10(2)27-15(22-9)24-14(25-27)17(18,19)20)5-6-12-23-13(26-28-12)16(21)7-3-4-8-16/h3-8,21H2,1-2H3.
What are the key properties of 1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 395.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120854798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).