6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine

C11H12BrN3O — CID 66570785

IUPAC6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(C3CCOCC3)n2c1
InChIInChI=1S/C11H12BrN3O/c12-9-1-2-10-13-14-11(15(10)7-9)8-3-5-16-6-4-8/h1-2,7-8H,3-6H2
InChIKeyWAYWTOVREFZLGG-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.39
Rot. Bonds1

About 6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine

6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 66570785) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID66570785
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(C3CCOCC3)n2c1
InChIInChI=1S/C11H12BrN3O/c12-9-1-2-10-13-14-11(15(10)7-9)8-3-5-16-6-4-8/h1-2,7-8H,3-6H2
InChIKeyWAYWTOVREFZLGG-UHFFFAOYSA-N
XLogP2.39
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 66570785) is 6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is Brc1ccc2nnc(C3CCOCC3)n2c1.
What is the InChIKey of 6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is WAYWTOVREFZLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-9-1-2-10-13-14-11(15(10)7-9)8-3-5-16-6-4-8/h1-2,7-8H,3-6H2.
What are the key properties of 6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 282.14 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 66570785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).