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Structure

8-Bromo-6-methyl[1,2,4]triazolo[1,5-a]pyridine

CAS
957062-94-1
Catalog Number
ACM957062941
Category
Other Products
Molecular Formula
C7H6BrN3

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What is the molecular formula of 8-Bromo-6-methyl[1,2,4]triazolo[1,5-a]pyridine?

The molecular formula is C7H6BrN3.

When was 8-Bromo-6-methyl[1,2,4]triazolo[1,5-a]pyridine created and modified?

It was created on 2009-05-28 and last modified on 2023-12-30.

What is the IUPAC name of the compound?

The IUPAC name is 8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.

What is the InChIKey of 8-Bromo-6-methyl[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is RVTIPKPMNMOVHB-UHFFFAOYSA-N.

What is the Canonical SMILES representation of the compound?

The Canonical SMILES is CC1=CN2C(=NC=N2)C(=C1)Br.

What is the XLogP3-AA value for 8-Bromo-6-methyl[1,2,4]triazolo[1,5-a]pyridine?

The XLogP3-AA value is 1.8.

How many hydrogen bond donor counts are there in 8-Bromo-6-methyl[1,2,4]triazolo[1,5-a]pyridine?

There are zero hydrogen bond donor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 30.2 Ų.

How many heavy atoms are present in the compound?

There are 11 heavy atoms.

Is the compound canonicalized and covalently-bonded unit count?

Yes, the compound is canonicalized and has a covalently-bonded unit count of 1.

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