2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine

C8H6BrF3N4O — CID 129216637

IUPAC2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESFC(F)(F)CCOc1nccn2nc(Br)nc12
InChIInChI=1S/C8H6BrF3N4O/c9-7-14-5-6(13-2-3-16(5)15-7)17-4-1-8(10,11)12/h2-3H,1,4H2
InChIKeyVGFAIMRGTMAJBN-UHFFFAOYSA-N
MW311.06 g/mol
LogP2.22
Rot. Bonds3

About 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine

2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 129216637) has the molecular formula C8H6BrF3N4O and a molecular weight of 311.06 g/mol. Its IUPAC name is 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID129216637
Molecular FormulaC8H6BrF3N4O
Molecular Weight311.06 g/mol
Exact Mass309.97
IUPAC Name2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESFC(F)(F)CCOc1nccn2nc(Br)nc12
InChIInChI=1S/C8H6BrF3N4O/c9-7-14-5-6(13-2-3-16(5)15-7)17-4-1-8(10,11)12/h2-3H,1,4H2
InChIKeyVGFAIMRGTMAJBN-UHFFFAOYSA-N
XLogP2.22
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.06
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine (CID 129216637) is 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine is FC(F)(F)CCOc1nccn2nc(Br)nc12.
What is the InChIKey of 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is VGFAIMRGTMAJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3N4O/c9-7-14-5-6(13-2-3-16(5)15-7)17-4-1-8(10,11)12/h2-3H,1,4H2.
What are the key properties of 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine?
2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 311.06 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 129216637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).