[2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine

C13H11BrN4 — CID 117130710

IUPAC[2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nc(-c3cccc(Br)c3)nn2c1
InChIInChI=1S/C13H11BrN4/c14-11-3-1-2-10(6-11)13-16-12-5-4-9(7-15)8-18(12)17-13/h1-6,8H,7,15H2
InChIKeyGQBZIIZLOOQHJJ-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.62
Rot. Bonds2

About [2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine

[2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine (PubChem CID 117130710) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is [2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
PubChem CID117130710
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name[2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nc(-c3cccc(Br)c3)nn2c1
InChIInChI=1S/C13H11BrN4/c14-11-3-1-2-10(6-11)13-16-12-5-4-9(7-15)8-18(12)17-13/h1-6,8H,7,15H2
InChIKeyGQBZIIZLOOQHJJ-UHFFFAOYSA-N
XLogP2.62
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117128011
3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 82566376
(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride
CID 165431577
2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 171816987
2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 82566662
3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenol
CID 82566380
[2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine
CID 62743751
7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135366
2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 163798613
6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117130734
2-(3-bromophenyl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499075
3-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]phenol
CID 117130711

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The IUPAC name of [2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine (CID 117130710) is [2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The canonical SMILES for [2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine is NCc1ccc2nc(-c3cccc(Br)c3)nn2c1.
What is the InChIKey of [2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The InChIKey is GQBZIIZLOOQHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c14-11-3-1-2-10(6-11)13-16-12-5-4-9(7-15)8-18(12)17-13/h1-6,8H,7,15H2.
What are the key properties of [2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
[2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine has a molecular weight of 303.16 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 117130710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).