2-bromo-8-fluoro-6-methyl-[1,2,4]triazolo[1,5-a]pyrazine

C6H4BrFN4 — CID 168725212

IUPAC2-bromo-8-fluoro-6-methyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1cn2nc(Br)nc2c(F)n1
InChIInChI=1S/C6H4BrFN4/c1-3-2-12-5(4(8)9-3)10-6(7)11-12/h2H,1H3
InChIKeyPFFGBMAVJPEKAH-UHFFFAOYSA-N
MW231.03 g/mol
LogP1.33
Rot. Bonds

About 2-bromo-8-fluoro-6-methyl-[1,2,4]triazolo[1,5-a]pyrazine

2-bromo-8-fluoro-6-methyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 168725212) has the molecular formula C6H4BrFN4 and a molecular weight of 231.03 g/mol. Its IUPAC name is 2-bromo-8-fluoro-6-methyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-bromo-8-fluoro-6-methyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID168725212
Molecular FormulaC6H4BrFN4
Molecular Weight231.03 g/mol
Exact Mass229.96
IUPAC Name2-bromo-8-fluoro-6-methyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1cn2nc(Br)nc2c(F)n1
InChIInChI=1S/C6H4BrFN4/c1-3-2-12-5(4(8)9-3)10-6(7)11-12/h2H,1H3
InChIKeyPFFGBMAVJPEKAH-UHFFFAOYSA-N
XLogP1.33
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.03
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-fluoro-6-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-bromo-8-fluoro-6-methyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 168725212) is 2-bromo-8-fluoro-6-methyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-bromo-8-fluoro-6-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-bromo-8-fluoro-6-methyl-[1,2,4]triazolo[1,5-a]pyrazine is Cc1cn2nc(Br)nc2c(F)n1.
What is the InChIKey of 2-bromo-8-fluoro-6-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is PFFGBMAVJPEKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFN4/c1-3-2-12-5(4(8)9-3)10-6(7)11-12/h2H,1H3.
What are the key properties of 2-bromo-8-fluoro-6-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-bromo-8-fluoro-6-methyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 231.03 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-fluoro-6-methyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 168725212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).