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

C9H10BrN3 — CID 11651644

IUPAC6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(Br)cn12
InChIInChI=1S/C9H10BrN3/c1-6(2)9-12-11-8-4-3-7(10)5-13(8)9/h3-6H,1-2H3
InChIKeyCMRPBXDXBYWNPU-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.62
Rot. Bonds1

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

6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 11651644) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID11651644
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(Br)cn12
InChIInChI=1S/C9H10BrN3/c1-6(2)9-12-11-8-4-3-7(10)5-13(8)9/h3-6H,1-2H3
InChIKeyCMRPBXDXBYWNPU-UHFFFAOYSA-N
XLogP2.62
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.62
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?
The IUPAC name of 6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 11651644) is 6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nnc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is CMRPBXDXBYWNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-6(2)9-12-11-8-4-3-7(10)5-13(8)9/h3-6H,1-2H3.
What are the key properties of 6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 240.10 g/mol, XLogP of 2.62, 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 is sourced from PubChem (CID 11651644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).