6-bromo-[1,2,4]triazolo[4,3-a]pyrazine

C5H3BrN4 — CID 130787935

IUPAC6-bromo-[1,2,4]triazolo[4,3-a]pyrazine
SMILESBrc1cn2cnnc2cn1
InChIInChI=1S/C5H3BrN4/c6-4-2-10-3-8-9-5(10)1-7-4/h1-3H
InChIKeyXJCDNRHRWDUUQA-UHFFFAOYSA-N
MW199.01 g/mol
LogP0.89
Rot. Bonds

About 6-bromo-[1,2,4]triazolo[4,3-a]pyrazine

6-bromo-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 130787935) has the molecular formula C5H3BrN4 and a molecular weight of 199.01 g/mol. Its IUPAC name is 6-bromo-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-bromo-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID130787935
Molecular FormulaC5H3BrN4
Molecular Weight199.01 g/mol
Exact Mass197.95
IUPAC Name6-bromo-[1,2,4]triazolo[4,3-a]pyrazine
SMILESBrc1cn2cnnc2cn1
InChIInChI=1S/C5H3BrN4/c6-4-2-10-3-8-9-5(10)1-7-4/h1-3H
InChIKeyXJCDNRHRWDUUQA-UHFFFAOYSA-N
XLogP0.89
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.01
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-bromo-[1,2,4]triazolo[4,3-a]pyrazine (CID 130787935) is 6-bromo-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-bromo-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-bromo-[1,2,4]triazolo[4,3-a]pyrazine is Brc1cn2cnnc2cn1.
What is the InChIKey of 6-bromo-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XJCDNRHRWDUUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN4/c6-4-2-10-3-8-9-5(10)1-7-4/h1-3H.
What are the key properties of 6-bromo-[1,2,4]triazolo[4,3-a]pyrazine?
6-bromo-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 199.01 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 130787935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).