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

C11H12BrN3O — CID 117139131

IUPAC6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(C3CCCCO3)n2c1
InChIInChI=1S/C11H12BrN3O/c12-8-4-5-10-13-14-11(15(10)7-8)9-3-1-2-6-16-9/h4-5,7,9H,1-3,6H2
InChIKeyPDUGUBHKGWTZDB-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.73
Rot. Bonds1

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

6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117139131) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117139131
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(C3CCCCO3)n2c1
InChIInChI=1S/C11H12BrN3O/c12-8-4-5-10-13-14-11(15(10)7-8)9-3-1-2-6-16-9/h4-5,7,9H,1-3,6H2
InChIKeyPDUGUBHKGWTZDB-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139057
6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139128
2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholine
CID 65349519
6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66570785
6-bromo-2-(oxan-2-yl)imidazo[1,2-a]pyridine
CID 117129640
3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine
CID 65348181
6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139205
4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
CID 65349561
3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145049
6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138737
2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117139069
3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
CID 65348038

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117139131) is 6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is Brc1ccc2nnc(C3CCCCO3)n2c1.
What is the InChIKey of 6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PDUGUBHKGWTZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-8-4-5-10-13-14-11(15(10)7-8)9-3-1-2-6-16-9/h4-5,7,9H,1-3,6H2.
What are the key properties of 6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 282.14 g/mol, XLogP of 2.73, 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-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117139131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).