6-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C11H13F3N6 — CID 146039306

IUPAC6-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc(C2CCc3ncnn3C2)n(CC(F)(F)F)n1
InChIInChI=1S/C11H13F3N6/c1-7-17-10(20(18-7)5-11(12,13)14)8-2-3-9-15-6-16-19(9)4-8/h6,8H,2-5H2,1H3
InChIKeyFUJAWKKFCIJFJX-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.47
Rot. Bonds2

About 6-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

6-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 146039306) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 6-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID146039306
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name6-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc(C2CCc3ncnn3C2)n(CC(F)(F)F)n1
InChIInChI=1S/C11H13F3N6/c1-7-17-10(20(18-7)5-11(12,13)14)8-2-3-9-15-6-16-19(9)4-8/h6,8H,2-5H2,1H3
InChIKeyFUJAWKKFCIJFJX-UHFFFAOYSA-N
XLogP1.47
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 146039306) is 6-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is Cc1nc(C2CCc3ncnn3C2)n(CC(F)(F)F)n1.
What is the InChIKey of 6-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is FUJAWKKFCIJFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c1-7-17-10(20(18-7)5-11(12,13)14)8-2-3-9-15-6-16-19(9)4-8/h6,8H,2-5H2,1H3.
What are the key properties of 6-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
6-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 286.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 146039306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).