5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline

C13H11BrN4 — CID 83966941

IUPAC5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline
SMILESCc1ccc(-c2nc3ccc(Br)cn3n2)cc1N
InChIInChI=1S/C13H11BrN4/c1-8-2-3-9(6-11(8)15)13-16-12-5-4-10(14)7-18(12)17-13/h2-7H,15H2,1H3
InChIKeyZLUMUSHHSHMOEX-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.05
Rot. Bonds1

About 5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline

5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline (PubChem CID 83966941) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline
PubChem CID83966941
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline
SMILESCc1ccc(-c2nc3ccc(Br)cn3n2)cc1N
InChIInChI=1S/C13H11BrN4/c1-8-2-3-9(6-11(8)15)13-16-12-5-4-10(14)7-18(12)17-13/h2-7H,15H2,1H3
InChIKeyZLUMUSHHSHMOEX-UHFFFAOYSA-N
XLogP3.05
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 83966915
5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline
CID 83966904
5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline
CID 52903820
3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 82566376
5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline
CID 83967080
5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline
CID 82471138
2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 82566662
[2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117130710
2-methyl-5-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62733002
3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenol
CID 82566380
2-(3-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117128011
2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566386

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline?
The IUPAC name of 5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline (CID 83966941) is 5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline.
What is the SMILES notation for 5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline?
The canonical SMILES for 5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline is Cc1ccc(-c2nc3ccc(Br)cn3n2)cc1N.
What is the InChIKey of 5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline?
The InChIKey is ZLUMUSHHSHMOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c1-8-2-3-9(6-11(8)15)13-16-12-5-4-10(14)7-18(12)17-13/h2-7H,15H2,1H3.
What are the key properties of 5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline?
5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline has a molecular weight of 303.16 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline is sourced from PubChem (CID 83966941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).