2-chloro-6-(2-oxabicyclo[2.1.1]hexan-1-yl)-[1,2,4]triazolo[1,5-a]pyridine

C11H10ClN3O — CID 178121759

IUPAC2-chloro-6-(2-oxabicyclo[2.1.1]hexan-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1nc2ccc(C34CC(CO3)C4)cn2n1
InChIInChI=1S/C11H10ClN3O/c12-10-13-9-2-1-8(5-15(9)14-10)11-3-7(4-11)6-16-11/h1-2,5,7H,3-4,6H2
InChIKeyLVUUOGYYVLTHSX-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.02
Rot. Bonds1

About 2-chloro-6-(2-oxabicyclo[2.1.1]hexan-1-yl)-[1,2,4]triazolo[1,5-a]pyridine

2-chloro-6-(2-oxabicyclo[2.1.1]hexan-1-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 178121759) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-chloro-6-(2-oxabicyclo[2.1.1]hexan-1-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-chloro-6-(2-oxabicyclo[2.1.1]hexan-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID178121759
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name2-chloro-6-(2-oxabicyclo[2.1.1]hexan-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1nc2ccc(C34CC(CO3)C4)cn2n1
InChIInChI=1S/C11H10ClN3O/c12-10-13-9-2-1-8(5-15(9)14-10)11-3-7(4-11)6-16-11/h1-2,5,7H,3-4,6H2
InChIKeyLVUUOGYYVLTHSX-UHFFFAOYSA-N
XLogP2.02
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-oxabicyclo[2.1.1]hexan-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-chloro-6-(2-oxabicyclo[2.1.1]hexan-1-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 178121759) is 2-chloro-6-(2-oxabicyclo[2.1.1]hexan-1-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-chloro-6-(2-oxabicyclo[2.1.1]hexan-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-chloro-6-(2-oxabicyclo[2.1.1]hexan-1-yl)-[1,2,4]triazolo[1,5-a]pyridine is Clc1nc2ccc(C34CC(CO3)C4)cn2n1.
What is the InChIKey of 2-chloro-6-(2-oxabicyclo[2.1.1]hexan-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is LVUUOGYYVLTHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-10-13-9-2-1-8(5-15(9)14-10)11-3-7(4-11)6-16-11/h1-2,5,7H,3-4,6H2.
What are the key properties of 2-chloro-6-(2-oxabicyclo[2.1.1]hexan-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
2-chloro-6-(2-oxabicyclo[2.1.1]hexan-1-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 235.67 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-oxabicyclo[2.1.1]hexan-1-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 178121759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).