6-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C17H14F3N5 — CID 134452558

IUPAC6-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1ccc2nc(C(F)(F)F)nn2c1-c1cc(C)c2[nH]ncc2c1
InChIInChI=1S/C17H14F3N5/c1-3-10-4-5-13-22-16(17(18,19)20)24-25(13)15(10)11-6-9(2)14-12(7-11)8-21-23-14/h4-8H,3H2,1-2H3,(H,21,23)
InChIKeyKLGVJIBRKGDIQX-UHFFFAOYSA-N
MW345.33 g/mol
LogP4.16
Rot. Bonds2

About 6-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

6-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134452558) has the molecular formula C17H14F3N5 and a molecular weight of 345.33 g/mol. Its IUPAC name is 6-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134452558
Molecular FormulaC17H14F3N5
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Name6-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1ccc2nc(C(F)(F)F)nn2c1-c1cc(C)c2[nH]ncc2c1
InChIInChI=1S/C17H14F3N5/c1-3-10-4-5-13-22-16(17(18,19)20)24-25(13)15(10)11-6-9(2)14-12(7-11)8-21-23-14/h4-8H,3H2,1-2H3,(H,21,23)
InChIKeyKLGVJIBRKGDIQX-UHFFFAOYSA-N
XLogP4.16
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134452558) is 6-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is CCc1ccc2nc(C(F)(F)F)nn2c1-c1cc(C)c2[nH]ncc2c1.
What is the InChIKey of 6-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KLGVJIBRKGDIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5/c1-3-10-4-5-13-22-16(17(18,19)20)24-25(13)15(10)11-6-9(2)14-12(7-11)8-21-23-14/h4-8H,3H2,1-2H3,(H,21,23).
What are the key properties of 6-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
6-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 345.33 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134452558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).