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

C8H3BrF6N4O — CID 129216674

IUPAC2-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESFC(F)(F)C(Oc1nccn2nc(Br)nc12)C(F)(F)F
InChIInChI=1S/C8H3BrF6N4O/c9-6-17-3-4(16-1-2-19(3)18-6)20-5(7(10,11)12)8(13,14)15/h1-2,5H
InChIKeyLKMZLWZDHHVLJN-UHFFFAOYSA-N
MW365.03 g/mol
LogP2.76
Rot. Bonds2

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

2-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 129216674) has the molecular formula C8H3BrF6N4O and a molecular weight of 365.03 g/mol. Its IUPAC name is 2-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID129216674
Molecular FormulaC8H3BrF6N4O
Molecular Weight365.03 g/mol
Exact Mass363.94
IUPAC Name2-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESFC(F)(F)C(Oc1nccn2nc(Br)nc12)C(F)(F)F
InChIInChI=1S/C8H3BrF6N4O/c9-6-17-3-4(16-1-2-19(3)18-6)20-5(7(10,11)12)8(13,14)15/h1-2,5H
InChIKeyLKMZLWZDHHVLJN-UHFFFAOYSA-N
XLogP2.76
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.03
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyrazine (CID 129216674) is 2-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyrazine is FC(F)(F)C(Oc1nccn2nc(Br)nc12)C(F)(F)F.
What is the InChIKey of 2-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is LKMZLWZDHHVLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF6N4O/c9-6-17-3-4(16-1-2-19(3)18-6)20-5(7(10,11)12)8(13,14)15/h1-2,5H.
What are the key properties of 2-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyrazine?
2-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 365.03 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 129216674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).