8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine

C12H14BrN3 — CID 15754782

IUPAC8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1cccn2c(C3CCCCC3)nnc12
InChIInChI=1S/C12H14BrN3/c13-10-7-4-8-16-11(14-15-12(10)16)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyYKDVOUAZFMWKOI-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.54
Rot. Bonds1

About 8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine

8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 15754782) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID15754782
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1cccn2c(C3CCCCC3)nnc12
InChIInChI=1S/C12H14BrN3/c13-10-7-4-8-16-11(14-15-12(10)16)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyYKDVOUAZFMWKOI-UHFFFAOYSA-N
XLogP3.54
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine (CID 15754782) is 8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine is Brc1cccn2c(C3CCCCC3)nnc12.
What is the InChIKey of 8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is YKDVOUAZFMWKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c13-10-7-4-8-16-11(14-15-12(10)16)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2.
What are the key properties of 8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine?
8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 280.17 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 15754782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).