6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride

C9H11BrClN3 — CID 22170177

IUPAC6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCC(C)c1nnc2ccc(Br)cn12.Cl
InChIInChI=1S/C9H10BrN3.ClH/c1-6(2)9-12-11-8-4-3-7(10)5-13(8)9;/h3-6H,1-2H3;1H
InChIKeyYIMXIQLCXJYRGO-UHFFFAOYSA-N
MW276.56 g/mol
LogP3.04
Rot. Bonds1

About 6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride

6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (PubChem CID 22170177) has the molecular formula C9H11BrClN3 and a molecular weight of 276.56 g/mol. Its IUPAC name is 6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.

Molecular Properties

Compound Name6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
PubChem CID22170177
Molecular FormulaC9H11BrClN3
Molecular Weight276.56 g/mol
Exact Mass274.98
IUPAC Name6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCC(C)c1nnc2ccc(Br)cn12.Cl
InChIInChI=1S/C9H10BrN3.ClH/c1-6(2)9-12-11-8-4-3-7(10)5-13(8)9;/h3-6H,1-2H3;1H
InChIKeyYIMXIQLCXJYRGO-UHFFFAOYSA-N
XLogP3.04
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The IUPAC name of 6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (CID 22170177) is 6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.
What is the SMILES notation for 6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The canonical SMILES for 6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is CC(C)c1nnc2ccc(Br)cn12.Cl.
What is the InChIKey of 6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The InChIKey is YIMXIQLCXJYRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3.ClH/c1-6(2)9-12-11-8-4-3-7(10)5-13(8)9;/h3-6H,1-2H3;1H.
What are the key properties of 6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride has a molecular weight of 276.56 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is sourced from PubChem (CID 22170177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).