6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine

C6H2BrF3N4 — CID 71303915

IUPAC6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESFC(F)(F)c1nc2cnc(Br)cn2n1
InChIInChI=1S/C6H2BrF3N4/c7-3-2-14-4(1-11-3)12-5(13-14)6(8,9)10/h1-2H
InChIKeyILGCWBNSFAWGSG-UHFFFAOYSA-N
MW267.01 g/mol
LogP1.91
Rot. Bonds

About 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine

6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 71303915) has the molecular formula C6H2BrF3N4 and a molecular weight of 267.01 g/mol. Its IUPAC name is 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID71303915
Molecular FormulaC6H2BrF3N4
Molecular Weight267.01 g/mol
Exact Mass265.94
IUPAC Name6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESFC(F)(F)c1nc2cnc(Br)cn2n1
InChIInChI=1S/C6H2BrF3N4/c7-3-2-14-4(1-11-3)12-5(13-14)6(8,9)10/h1-2H
InChIKeyILGCWBNSFAWGSG-UHFFFAOYSA-N
XLogP1.91
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.01
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine (CID 71303915) is 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine is FC(F)(F)c1nc2cnc(Br)cn2n1.
What is the InChIKey of 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is ILGCWBNSFAWGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3N4/c7-3-2-14-4(1-11-3)12-5(13-14)6(8,9)10/h1-2H.
What are the key properties of 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine?
6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 267.01 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 71303915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).