8-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine

C12H9BrN4 — CID 67250292

IUPAC8-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESBrc1ccccc1Cc1nccn2cnnc12
InChIInChI=1S/C12H9BrN4/c13-10-4-2-1-3-9(10)7-11-12-16-15-8-17(12)6-5-14-11/h1-6,8H,7H2
InChIKeyNJNVJFLVWRJWPA-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.48
Rot. Bonds2

About 8-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine

8-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 67250292) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 8-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID67250292
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name8-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESBrc1ccccc1Cc1nccn2cnnc12
InChIInChI=1S/C12H9BrN4/c13-10-4-2-1-3-9(10)7-11-12-16-15-8-17(12)6-5-14-11/h1-6,8H,7H2
InChIKeyNJNVJFLVWRJWPA-UHFFFAOYSA-N
XLogP2.48
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 67250292) is 8-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine is Brc1ccccc1Cc1nccn2cnnc12.
What is the InChIKey of 8-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NJNVJFLVWRJWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-10-4-2-1-3-9(10)7-11-12-16-15-8-17(12)6-5-14-11/h1-6,8H,7H2.
What are the key properties of 8-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
8-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 289.14 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 67250292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).