2-[5-(4-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone

C17H14BrN3O — CID 58374782

IUPAC2-[5-(4-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone
SMILESO=C(Cc1nc2cccc(-c3ccc(Br)cc3)n2n1)C1CC1
InChIInChI=1S/C17H14BrN3O/c18-13-8-6-11(7-9-13)14-2-1-3-17-19-16(20-21(14)17)10-15(22)12-4-5-12/h1-3,6-9,12H,4-5,10H2
InChIKeyIQFOYTUILJQBPV-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.68
Rot. Bonds4

About 2-[5-(4-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone

2-[5-(4-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone (PubChem CID 58374782) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone
PubChem CID58374782
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC Name2-[5-(4-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone
SMILESO=C(Cc1nc2cccc(-c3ccc(Br)cc3)n2n1)C1CC1
InChIInChI=1S/C17H14BrN3O/c18-13-8-6-11(7-9-13)14-2-1-3-17-19-16(20-21(14)17)10-15(22)12-4-5-12/h1-3,6-9,12H,4-5,10H2
InChIKeyIQFOYTUILJQBPV-UHFFFAOYSA-N
XLogP3.68
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone?
The IUPAC name of 2-[5-(4-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone (CID 58374782) is 2-[5-(4-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone.
What is the SMILES notation for 2-[5-(4-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone?
The canonical SMILES for 2-[5-(4-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone is O=C(Cc1nc2cccc(-c3ccc(Br)cc3)n2n1)C1CC1.
What is the InChIKey of 2-[5-(4-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone?
The InChIKey is IQFOYTUILJQBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c18-13-8-6-11(7-9-13)14-2-1-3-17-19-16(20-21(14)17)10-15(22)12-4-5-12/h1-3,6-9,12H,4-5,10H2.
What are the key properties of 2-[5-(4-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone?
2-[5-(4-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone has a molecular weight of 356.22 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone is sourced from PubChem (CID 58374782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).