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

C8H4BrF5N4O — CID 129216709

IUPAC2-bromo-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESFC(F)(F)C(F)(F)COc1nccn2nc(Br)nc12
InChIInChI=1S/C8H4BrF5N4O/c9-6-16-4-5(15-1-2-18(4)17-6)19-3-7(10,11)8(12,13)14/h1-2H,3H2
InChIKeyLYLUTRSUSIAVDH-UHFFFAOYSA-N
MW347.04 g/mol
LogP2.46
Rot. Bonds3

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

2-bromo-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 129216709) has the molecular formula C8H4BrF5N4O and a molecular weight of 347.04 g/mol. Its IUPAC name is 2-bromo-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-bromo-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID129216709
Molecular FormulaC8H4BrF5N4O
Molecular Weight347.04 g/mol
Exact Mass345.95
IUPAC Name2-bromo-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESFC(F)(F)C(F)(F)COc1nccn2nc(Br)nc12
InChIInChI=1S/C8H4BrF5N4O/c9-6-16-4-5(15-1-2-18(4)17-6)19-3-7(10,11)8(12,13)14/h1-2H,3H2
InChIKeyLYLUTRSUSIAVDH-UHFFFAOYSA-N
XLogP2.46
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.04
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-Bromo-8-(2,2-difluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazine
CID 129216598
2-Bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine
CID 129216614
2-Bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine
CID 129216637
2-Bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyrazine
CID 129216674
8-(2,2-Difluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 129216704
2-Bromo-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyrazine
CID 129216718
N-(2-methylidenebutyl)-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 129232651
5-(2,2,3,3,3-Pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 141518019
6-Bromo-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 176244536
7-(6-ethoxypyrazin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 71968409
6-Bromo-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine
CID 79955207
6-Bromo-8-(2,2,3,3-tetrafluoropropoxy)imidazo[1,2-a]pyrazine
CID 79956017

Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-bromo-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine (CID 129216709) is 2-bromo-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-bromo-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-bromo-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine is FC(F)(F)C(F)(F)COc1nccn2nc(Br)nc12.
What is the InChIKey of 2-bromo-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is LYLUTRSUSIAVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF5N4O/c9-6-16-4-5(15-1-2-18(4)17-6)19-3-7(10,11)8(12,13)14/h1-2H,3H2.
What are the key properties of 2-bromo-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine?
2-bromo-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 347.04 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 129216709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).