5-cyclopropyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3,4-oxadiazol-2-amine

C13H15F3N6O — CID 136536698

IUPAC5-cyclopropyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)C1CCc2nnc(CNc3nnc(C4CC4)o3)n2C1
InChIInChI=1S/C13H15F3N6O/c14-13(15,16)8-3-4-9-18-19-10(22(9)6-8)5-17-12-21-20-11(23-12)7-1-2-7/h7-8H,1-6H2,(H,17,21)
InChIKeyMUHSUMLXSJLGFZ-UHFFFAOYSA-N
MW328.30 g/mol
LogP2.28
Rot. Bonds4

About 5-cyclopropyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3,4-oxadiazol-2-amine

5-cyclopropyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 136536698) has the molecular formula C13H15F3N6O and a molecular weight of 328.30 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID136536698
Molecular FormulaC13H15F3N6O
Molecular Weight328.30 g/mol
Exact Mass328.13
IUPAC Name5-cyclopropyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)C1CCc2nnc(CNc3nnc(C4CC4)o3)n2C1
InChIInChI=1S/C13H15F3N6O/c14-13(15,16)8-3-4-9-18-19-10(22(9)6-8)5-17-12-21-20-11(23-12)7-1-2-7/h7-8H,1-6H2,(H,17,21)
InChIKeyMUHSUMLXSJLGFZ-UHFFFAOYSA-N
XLogP2.28
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3,4-oxadiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3,4-oxadiazol-2-amine (CID 136536698) is 5-cyclopropyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3,4-oxadiazol-2-amine is FC(F)(F)C1CCc2nnc(CNc3nnc(C4CC4)o3)n2C1.
What is the InChIKey of 5-cyclopropyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is MUHSUMLXSJLGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O/c14-13(15,16)8-3-4-9-18-19-10(22(9)6-8)5-17-12-21-20-11(23-12)7-1-2-7/h7-8H,1-6H2,(H,17,21).
What are the key properties of 5-cyclopropyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3,4-oxadiazol-2-amine?
5-cyclopropyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 328.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 136536698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).