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

C8H8BrN3 — CID 66570419

IUPAC6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCc1nnc2ccc(Br)cn12
InChIInChI=1S/C8H8BrN3/c1-2-7-10-11-8-4-3-6(9)5-12(7)8/h3-5H,2H2,1H3
InChIKeyFFECVJVIICFPED-UHFFFAOYSA-N
MW226.08 g/mol
LogP2.05
Rot. Bonds1

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

6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 66570419) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID66570419
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCc1nnc2ccc(Br)cn12
InChIInChI=1S/C8H8BrN3/c1-2-7-10-11-8-4-3-6(9)5-12(7)8/h3-5H,2H2,1H3
InChIKeyFFECVJVIICFPED-UHFFFAOYSA-N
XLogP2.05
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine (CID 66570419) is 6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine is CCc1nnc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FFECVJVIICFPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c1-2-7-10-11-8-4-3-6(9)5-12(7)8/h3-5H,2H2,1H3.
What are the key properties of 6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 226.08 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 66570419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).