5-(chloromethyl)-6-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C11H11ClF3N3 — CID 172820478

IUPAC5-(chloromethyl)-6-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCCc1ccc2nc(C(F)(F)F)nn2c1CCl
InChIInChI=1S/C11H11ClF3N3/c1-2-3-7-4-5-9-16-10(11(13,14)15)17-18(9)8(7)6-12/h4-5H,2-3,6H2,1H3
InChIKeyUDSXYWJFIFWWHO-UHFFFAOYSA-N
MW277.68 g/mol
LogP3.44
Rot. Bonds3

About 5-(chloromethyl)-6-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

5-(chloromethyl)-6-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 172820478) has the molecular formula C11H11ClF3N3 and a molecular weight of 277.68 g/mol. Its IUPAC name is 5-(chloromethyl)-6-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-6-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID172820478
Molecular FormulaC11H11ClF3N3
Molecular Weight277.68 g/mol
Exact Mass277.06
IUPAC Name5-(chloromethyl)-6-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCCc1ccc2nc(C(F)(F)F)nn2c1CCl
InChIInChI=1S/C11H11ClF3N3/c1-2-3-7-4-5-9-16-10(11(13,14)15)17-18(9)8(7)6-12/h4-5H,2-3,6H2,1H3
InChIKeyUDSXYWJFIFWWHO-UHFFFAOYSA-N
XLogP3.44
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(chloromethyl)-6-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 172820478) is 5-(chloromethyl)-6-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(chloromethyl)-6-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(chloromethyl)-6-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is CCCc1ccc2nc(C(F)(F)F)nn2c1CCl.
What is the InChIKey of 5-(chloromethyl)-6-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is UDSXYWJFIFWWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3/c1-2-3-7-4-5-9-16-10(11(13,14)15)17-18(9)8(7)6-12/h4-5H,2-3,6H2,1H3.
What are the key properties of 5-(chloromethyl)-6-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-(chloromethyl)-6-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 277.68 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 172820478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).