5-bromo-2-cyclobutyl-7-ethyl-[1,2,4]triazolo[1,5-a]pyridine

C12H14BrN3 — CID 165473695

IUPAC5-bromo-2-cyclobutyl-7-ethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1cc(Br)n2nc(C3CCC3)nc2c1
InChIInChI=1S/C12H14BrN3/c1-2-8-6-10(13)16-11(7-8)14-12(15-16)9-4-3-5-9/h6-7,9H,2-5H2,1H3
InChIKeyIYUUJXOALTXYOP-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.32
Rot. Bonds2

About 5-bromo-2-cyclobutyl-7-ethyl-[1,2,4]triazolo[1,5-a]pyridine

5-bromo-2-cyclobutyl-7-ethyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165473695) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 5-bromo-2-cyclobutyl-7-ethyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-bromo-2-cyclobutyl-7-ethyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165473695
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name5-bromo-2-cyclobutyl-7-ethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1cc(Br)n2nc(C3CCC3)nc2c1
InChIInChI=1S/C12H14BrN3/c1-2-8-6-10(13)16-11(7-8)14-12(15-16)9-4-3-5-9/h6-7,9H,2-5H2,1H3
InChIKeyIYUUJXOALTXYOP-UHFFFAOYSA-N
XLogP3.32
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclobutyl-7-ethyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-bromo-2-cyclobutyl-7-ethyl-[1,2,4]triazolo[1,5-a]pyridine (CID 165473695) is 5-bromo-2-cyclobutyl-7-ethyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-bromo-2-cyclobutyl-7-ethyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-bromo-2-cyclobutyl-7-ethyl-[1,2,4]triazolo[1,5-a]pyridine is CCc1cc(Br)n2nc(C3CCC3)nc2c1.
What is the InChIKey of 5-bromo-2-cyclobutyl-7-ethyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is IYUUJXOALTXYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-2-8-6-10(13)16-11(7-8)14-12(15-16)9-4-3-5-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 5-bromo-2-cyclobutyl-7-ethyl-[1,2,4]triazolo[1,5-a]pyridine?
5-bromo-2-cyclobutyl-7-ethyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 280.17 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclobutyl-7-ethyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165473695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).