7-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine

C7H6BrN3 — CID 46839920

IUPAC7-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2cc(Br)ccn12
InChIInChI=1S/C7H6BrN3/c1-5-9-10-7-4-6(8)2-3-11(5)7/h2-4H,1H3
InChIKeyWYUKTKNVSDKFCY-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.80
Rot. Bonds

About 7-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine

7-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 46839920) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 7-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID46839920
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name7-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2cc(Br)ccn12
InChIInChI=1S/C7H6BrN3/c1-5-9-10-7-4-6(8)2-3-11(5)7/h2-4H,1H3
InChIKeyWYUKTKNVSDKFCY-UHFFFAOYSA-N
XLogP1.80
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 46839920) is 7-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1nnc2cc(Br)ccn12.
What is the InChIKey of 7-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is WYUKTKNVSDKFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c1-5-9-10-7-4-6(8)2-3-11(5)7/h2-4H,1H3.
What are the key properties of 7-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
7-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 212.05 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 46839920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).