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

C7H6F3N3 — CID 175695649

IUPAC2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)c1nc2n(n1)CCC=C2
InChIInChI=1S/C7H6F3N3/c8-7(9,10)6-11-5-3-1-2-4-13(5)12-6/h1,3H,2,4H2
InChIKeyBKZQMMUDULYRSR-UHFFFAOYSA-N
MW189.14 g/mol
LogP1.71
Rot. Bonds

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

2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 175695649) has the molecular formula C7H6F3N3 and a molecular weight of 189.14 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID175695649
Molecular FormulaC7H6F3N3
Molecular Weight189.14 g/mol
Exact Mass189.05
IUPAC Name2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)c1nc2n(n1)CCC=C2
InChIInChI=1S/C7H6F3N3/c8-7(9,10)6-11-5-3-1-2-4-13(5)12-6/h1,3H,2,4H2
InChIKeyBKZQMMUDULYRSR-UHFFFAOYSA-N
XLogP1.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine (CID 175695649) is 2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine is FC(F)(F)c1nc2n(n1)CCC=C2.
What is the InChIKey of 2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BKZQMMUDULYRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3/c8-7(9,10)6-11-5-3-1-2-4-13(5)12-6/h1,3H,2,4H2.
What are the key properties of 2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 189.14 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 175695649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).