6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

C8H8BrN3 — CID 83965344

IUPAC6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc2c(C)cc(Br)cn2n1
InChIInChI=1S/C8H8BrN3/c1-5-3-7(9)4-12-8(5)10-6(2)11-12/h3-4H,1-2H3
InChIKeyORMHPSPKPTUVNW-UHFFFAOYSA-N
MW226.08 g/mol
LogP2.11
Rot. Bonds

About 6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 83965344) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID83965344
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc2c(C)cc(Br)cn2n1
InChIInChI=1S/C8H8BrN3/c1-5-3-7(9)4-12-8(5)10-6(2)11-12/h3-4H,1-2H3
InChIKeyORMHPSPKPTUVNW-UHFFFAOYSA-N
XLogP2.11
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (CID 83965344) is 6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1nc2c(C)cc(Br)cn2n1.
What is the InChIKey of 6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ORMHPSPKPTUVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c1-5-3-7(9)4-12-8(5)10-6(2)11-12/h3-4H,1-2H3.
What are the key properties of 6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 226.08 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 83965344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).