2-[2-(2,2,2-trifluoroethyl)triazol-4-yl]pyrazine

C8H6F3N5 — CID 150463327

IUPAC2-[2-(2,2,2-trifluoroethyl)triazol-4-yl]pyrazine
SMILESFC(F)(F)Cn1ncc(-c2cnccn2)n1
InChIInChI=1S/C8H6F3N5/c9-8(10,11)5-16-14-4-7(15-16)6-3-12-1-2-13-6/h1-4H,5H2
InChIKeyHQFVRZMBODEEMW-UHFFFAOYSA-N
MW229.17 g/mol
LogP1.30
Rot. Bonds2

About 2-[2-(2,2,2-trifluoroethyl)triazol-4-yl]pyrazine

2-[2-(2,2,2-trifluoroethyl)triazol-4-yl]pyrazine (PubChem CID 150463327) has the molecular formula C8H6F3N5 and a molecular weight of 229.17 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethyl)triazol-4-yl]pyrazine.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethyl)triazol-4-yl]pyrazine
PubChem CID150463327
Molecular FormulaC8H6F3N5
Molecular Weight229.17 g/mol
Exact Mass229.06
IUPAC Name2-[2-(2,2,2-trifluoroethyl)triazol-4-yl]pyrazine
SMILESFC(F)(F)Cn1ncc(-c2cnccn2)n1
InChIInChI=1S/C8H6F3N5/c9-8(10,11)5-16-14-4-7(15-16)6-3-12-1-2-13-6/h1-4H,5H2
InChIKeyHQFVRZMBODEEMW-UHFFFAOYSA-N
XLogP1.30
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazinyl triazole
CID 54337967
2-[1-(2,2-Difluoroethyl)pyrazol-4-yl]-6-propan-2-ylpyrazine
CID 168209361
7-(Trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 176894499
2-[1-(2,2-Difluoroethyl)pyrazol-4-yl]-6-methylpyrazine
CID 168210066
3-Fluoropyrazolo[1,5-a]pyrazine
CID 171035911
6-(Trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 177972713
2-(1-Tert-butylpyrazol-4-yl)pyrazine
CID 3336992
2-(1-Propan-2-ylpyrazol-4-yl)pyrazine
CID 4244540
3-(1-methyl-1H-pyrazol-4-yl)pyrazin
CID 4061022
2-(2-Methyltriazol-4-yl)pyrazine
CID 57746064
2-(1-Methyltriazol-4-yl)pyrazine
CID 57746240
2-[1-(3-Methylbutyl)pyrazol-4-yl]pyrazine
CID 57940306

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethyl)triazol-4-yl]pyrazine?
The IUPAC name of 2-[2-(2,2,2-trifluoroethyl)triazol-4-yl]pyrazine (CID 150463327) is 2-[2-(2,2,2-trifluoroethyl)triazol-4-yl]pyrazine.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethyl)triazol-4-yl]pyrazine?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethyl)triazol-4-yl]pyrazine is FC(F)(F)Cn1ncc(-c2cnccn2)n1.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethyl)triazol-4-yl]pyrazine?
The InChIKey is HQFVRZMBODEEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5/c9-8(10,11)5-16-14-4-7(15-16)6-3-12-1-2-13-6/h1-4H,5H2.
What are the key properties of 2-[2-(2,2,2-trifluoroethyl)triazol-4-yl]pyrazine?
2-[2-(2,2,2-trifluoroethyl)triazol-4-yl]pyrazine has a molecular weight of 229.17 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethyl)triazol-4-yl]pyrazine is sourced from PubChem (CID 150463327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).