2-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine

C8H5F3N4 — CID 72724829

IUPAC2-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(-c2ncn[nH]2)n1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-2-5(14-6)7-12-4-13-15-7/h1-4H,(H,12,13,15)
InChIKeyIAHUJPUVUJTQHQ-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.89
Rot. Bonds1

About 2-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine

2-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine (PubChem CID 72724829) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine
PubChem CID72724829
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name2-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(-c2ncn[nH]2)n1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-2-5(14-6)7-12-4-13-15-7/h1-4H,(H,12,13,15)
InChIKeyIAHUJPUVUJTQHQ-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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine (CID 72724829) is 2-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine is FC(F)(F)c1cccc(-c2ncn[nH]2)n1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine?
The InChIKey is IAHUJPUVUJTQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-2-5(14-6)7-12-4-13-15-7/h1-4H,(H,12,13,15).
What are the key properties of 2-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine?
2-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)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-(1H-1,2,4-triazol-5-yl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 72724829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).