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

C17H14F3N5 — CID 134457788

IUPAC2-ethyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2ccc(C(F)(F)F)c(-c3cc(C)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C17H14F3N5/c1-3-13-22-14-5-4-12(17(18,19)20)16(25(14)24-13)10-6-9(2)15-11(7-10)8-21-23-15/h4-8H,3H2,1-2H3,(H,21,23)
InChIKeyMPLAHZOKNSRCLC-UHFFFAOYSA-N
MW345.33 g/mol
LogP4.16
Rot. Bonds2

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

2-ethyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134457788) has the molecular formula C17H14F3N5 and a molecular weight of 345.33 g/mol. Its IUPAC name is 2-ethyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-ethyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134457788
Molecular FormulaC17H14F3N5
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Name2-ethyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2ccc(C(F)(F)F)c(-c3cc(C)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C17H14F3N5/c1-3-13-22-14-5-4-12(17(18,19)20)16(25(14)24-13)10-6-9(2)15-11(7-10)8-21-23-15/h4-8H,3H2,1-2H3,(H,21,23)
InChIKeyMPLAHZOKNSRCLC-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 2-ethyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-ethyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134457788) is 2-ethyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-ethyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-ethyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is CCc1nc2ccc(C(F)(F)F)c(-c3cc(C)c4[nH]ncc4c3)n2n1.
What is the InChIKey of 2-ethyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MPLAHZOKNSRCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5/c1-3-13-22-14-5-4-12(17(18,19)20)16(25(14)24-13)10-6-9(2)15-11(7-10)8-21-23-15/h4-8H,3H2,1-2H3,(H,21,23).
What are the key properties of 2-ethyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
2-ethyl-5-(7-methyl-1H-indazol-5-yl)-6-(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 2-ethyl-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134457788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).