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

C7H5BrF2N4O — CID 129216598

IUPAC2-bromo-8-(2,2-difluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESFC(F)COc1nccn2nc(Br)nc12
InChIInChI=1S/C7H5BrF2N4O/c8-7-12-5-6(15-3-4(9)10)11-1-2-14(5)13-7/h1-2,4H,3H2
InChIKeyXQNGMKTZZZJONA-UHFFFAOYSA-N
MW279.04 g/mol
LogP1.53
Rot. Bonds3

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

2-bromo-8-(2,2-difluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 129216598) has the molecular formula C7H5BrF2N4O and a molecular weight of 279.04 g/mol. Its IUPAC name is 2-bromo-8-(2,2-difluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-bromo-8-(2,2-difluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID129216598
Molecular FormulaC7H5BrF2N4O
Molecular Weight279.04 g/mol
Exact Mass277.96
IUPAC Name2-bromo-8-(2,2-difluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESFC(F)COc1nccn2nc(Br)nc12
InChIInChI=1S/C7H5BrF2N4O/c8-7-12-5-6(15-3-4(9)10)11-1-2-14(5)13-7/h1-2,4H,3H2
InChIKeyXQNGMKTZZZJONA-UHFFFAOYSA-N
XLogP1.53
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.04
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-(2,2-difluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-bromo-8-(2,2-difluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazine (CID 129216598) is 2-bromo-8-(2,2-difluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-bromo-8-(2,2-difluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-bromo-8-(2,2-difluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazine is FC(F)COc1nccn2nc(Br)nc12.
What is the InChIKey of 2-bromo-8-(2,2-difluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is XQNGMKTZZZJONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N4O/c8-7-12-5-6(15-3-4(9)10)11-1-2-14(5)13-7/h1-2,4H,3H2.
What are the key properties of 2-bromo-8-(2,2-difluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazine?
2-bromo-8-(2,2-difluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 279.04 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-(2,2-difluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 129216598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).