6-bromo-3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C15H14BrN3 — CID 130277759

IUPAC6-bromo-3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)(c1ccccc1)c1nnc2ccc(Br)cn12
InChIInChI=1S/C15H14BrN3/c1-15(2,11-6-4-3-5-7-11)14-18-17-13-9-8-12(16)10-19(13)14/h3-10H,1-2H3
InChIKeyZUTJOAWLHAPYSD-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.82
Rot. Bonds2

About 6-bromo-3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

6-bromo-3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 130277759) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 6-bromo-3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID130277759
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name6-bromo-3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)(c1ccccc1)c1nnc2ccc(Br)cn12
InChIInChI=1S/C15H14BrN3/c1-15(2,11-6-4-3-5-7-11)14-18-17-13-9-8-12(16)10-19(13)14/h3-10H,1-2H3
InChIKeyZUTJOAWLHAPYSD-UHFFFAOYSA-N
XLogP3.82
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 130277759) is 6-bromo-3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is CC(C)(c1ccccc1)c1nnc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZUTJOAWLHAPYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-15(2,11-6-4-3-5-7-11)14-18-17-13-9-8-12(16)10-19(13)14/h3-10H,1-2H3.
What are the key properties of 6-bromo-3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 316.20 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 130277759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).