2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine

C8H5F3N4 — CID 20807129

IUPAC2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESFC(F)(F)c1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5/h1-4H,(H,13,14,15)
InChIKeyMOGTVLAYAVGOJK-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.89
Rot. Bonds1

About 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine

2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 20807129) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID20807129
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESFC(F)(F)c1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5/h1-4H,(H,13,14,15)
InChIKeyMOGTVLAYAVGOJK-UHFFFAOYSA-N
XLogP1.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine (CID 20807129) is 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine is FC(F)(F)c1nc(-c2ccccn2)n[nH]1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is MOGTVLAYAVGOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5/h1-4H,(H,13,14,15).
What are the key properties of 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 214.15 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 20807129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).