5-methyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine

C8H7F3N4 — CID 171552204

IUPAC5-methyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine
SMILESCc1ccc2nnn(CC(F)(F)F)c2n1
InChIInChI=1S/C8H7F3N4/c1-5-2-3-6-7(12-5)15(14-13-6)4-8(9,10)11/h2-3H,4H2,1H3
InChIKeyYNHCKLMTLJSPJP-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.70
Rot. Bonds1

About 5-methyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine

5-methyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine (PubChem CID 171552204) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 5-methyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine
PubChem CID171552204
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name5-methyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine
SMILESCc1ccc2nnn(CC(F)(F)F)c2n1
InChIInChI=1S/C8H7F3N4/c1-5-2-3-6-7(12-5)15(14-13-6)4-8(9,10)11/h2-3H,4H2,1H3
InChIKeyYNHCKLMTLJSPJP-UHFFFAOYSA-N
XLogP1.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine?
The IUPAC name of 5-methyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine (CID 171552204) is 5-methyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine.
What is the SMILES notation for 5-methyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine?
The canonical SMILES for 5-methyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine is Cc1ccc2nnn(CC(F)(F)F)c2n1.
What is the InChIKey of 5-methyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine?
The InChIKey is YNHCKLMTLJSPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c1-5-2-3-6-7(12-5)15(14-13-6)4-8(9,10)11/h2-3H,4H2,1H3.
What are the key properties of 5-methyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine?
5-methyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine has a molecular weight of 216.17 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine is sourced from PubChem (CID 171552204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).