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

C10H10BrN3S — CID 117138737

IUPAC6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(C3CCSC3)n2c1
InChIInChI=1S/C10H10BrN3S/c11-8-1-2-9-12-13-10(14(9)5-8)7-3-4-15-6-7/h1-2,5,7H,3-4,6H2
InChIKeyOWSMKHZPHNFZSV-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.71
Rot. Bonds1

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

6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117138737) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is 6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117138737
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(C3CCSC3)n2c1
InChIInChI=1S/C10H10BrN3S/c11-8-1-2-9-12-13-10(14(9)5-8)7-3-4-15-6-7/h1-2,5,7H,3-4,6H2
InChIKeyOWSMKHZPHNFZSV-UHFFFAOYSA-N
XLogP2.71
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117138737) is 6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine is Brc1ccc2nnc(C3CCSC3)n2c1.
What is the InChIKey of 6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OWSMKHZPHNFZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c11-8-1-2-9-12-13-10(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-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 284.18 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117138737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).