6-bromo-3-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridine

C9H6BrN5 — CID 150393897

IUPAC6-bromo-3-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(-n3ccnc3)n2c1
InChIInChI=1S/C9H6BrN5/c10-7-1-2-8-12-13-9(15(8)5-7)14-4-3-11-6-14/h1-6H
InChIKeyHCHADFQERQVZGA-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.68
Rot. Bonds1

About 6-bromo-3-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridine

6-bromo-3-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 150393897) has the molecular formula C9H6BrN5 and a molecular weight of 264.09 g/mol. Its IUPAC name is 6-bromo-3-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID150393897
Molecular FormulaC9H6BrN5
Molecular Weight264.09 g/mol
Exact Mass262.98
IUPAC Name6-bromo-3-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(-n3ccnc3)n2c1
InChIInChI=1S/C9H6BrN5/c10-7-1-2-8-12-13-9(15(8)5-7)14-4-3-11-6-14/h1-6H
InChIKeyHCHADFQERQVZGA-UHFFFAOYSA-N
XLogP1.68
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 150393897) is 6-bromo-3-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridine is Brc1ccc2nnc(-n3ccnc3)n2c1.
What is the InChIKey of 6-bromo-3-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HCHADFQERQVZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN5/c10-7-1-2-8-12-13-9(15(8)5-7)14-4-3-11-6-14/h1-6H.
What are the key properties of 6-bromo-3-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 264.09 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-imidazol-1-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 150393897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).