4-bromotriazolo[1,5-a]pyridine

C6H4BrN3 — CID 54379855

IUPAC4-bromotriazolo[1,5-a]pyridine
SMILESBrc1cccn2nncc12
InChIInChI=1S/C6H4BrN3/c7-5-2-1-3-10-6(5)4-8-9-10/h1-4H
InChIKeyUZDMZVBQKJGPKE-UHFFFAOYSA-N
MW198.02 g/mol
LogP1.49
Rot. Bonds

About 4-bromotriazolo[1,5-a]pyridine

4-bromotriazolo[1,5-a]pyridine (PubChem CID 54379855) has the molecular formula C6H4BrN3 and a molecular weight of 198.02 g/mol. Its IUPAC name is 4-bromotriazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4-bromotriazolo[1,5-a]pyridine
PubChem CID54379855
Molecular FormulaC6H4BrN3
Molecular Weight198.02 g/mol
Exact Mass196.96
IUPAC Name4-bromotriazolo[1,5-a]pyridine
SMILESBrc1cccn2nncc12
InChIInChI=1S/C6H4BrN3/c7-5-2-1-3-10-6(5)4-8-9-10/h1-4H
InChIKeyUZDMZVBQKJGPKE-UHFFFAOYSA-N
XLogP1.49
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.02
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromotriazolo[1,5-a]pyridine?
The IUPAC name of 4-bromotriazolo[1,5-a]pyridine (CID 54379855) is 4-bromotriazolo[1,5-a]pyridine.
What is the SMILES notation for 4-bromotriazolo[1,5-a]pyridine?
The canonical SMILES for 4-bromotriazolo[1,5-a]pyridine is Brc1cccn2nncc12.
What is the InChIKey of 4-bromotriazolo[1,5-a]pyridine?
The InChIKey is UZDMZVBQKJGPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3/c7-5-2-1-3-10-6(5)4-8-9-10/h1-4H.
What are the key properties of 4-bromotriazolo[1,5-a]pyridine?
4-bromotriazolo[1,5-a]pyridine has a molecular weight of 198.02 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromotriazolo[1,5-a]pyridine is sourced from PubChem (CID 54379855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).