6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine

C10H10BrN3O — CID 117128802

IUPAC6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESBrc1ccc2nc(C3CCOC3)nn2c1
InChIInChI=1S/C10H10BrN3O/c11-8-1-2-9-12-10(13-14(9)5-8)7-3-4-15-6-7/h1-2,5,7H,3-4,6H2
InChIKeyHGCALDCROZKSGP-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.00
Rot. Bonds1

About 6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine

6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117128802) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117128802
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESBrc1ccc2nc(C3CCOC3)nn2c1
InChIInChI=1S/C10H10BrN3O/c11-8-1-2-9-12-10(13-14(9)5-8)7-3-4-15-6-7/h1-2,5,7H,3-4,6H2
InChIKeyHGCALDCROZKSGP-UHFFFAOYSA-N
XLogP2.00
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117128802) is 6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine is Brc1ccc2nc(C3CCOC3)nn2c1.
What is the InChIKey of 6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HGCALDCROZKSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c11-8-1-2-9-12-10(13-14(9)5-8)7-3-4-15-6-7/h1-2,5,7H,3-4,6H2.
What are the key properties of 6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 268.11 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117128802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).