2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline

C13H11BrN4 — CID 107813659

IUPAC2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
SMILESCc1ccn2c(-c3ccc(Br)c(N)c3)nnc2c1
InChIInChI=1S/C13H11BrN4/c1-8-4-5-18-12(6-8)16-17-13(18)9-2-3-10(14)11(15)7-9/h2-7H,15H2,1H3
InChIKeyAALCZLNOZWSIAJ-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.05
Rot. Bonds1

About 2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline

2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline (PubChem CID 107813659) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline.

Molecular Properties

Compound Name2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
PubChem CID107813659
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
SMILESCc1ccn2c(-c3ccc(Br)c(N)c3)nnc2c1
InChIInChI=1S/C13H11BrN4/c1-8-4-5-18-12(6-8)16-17-13(18)9-2-3-10(14)11(15)7-9/h2-7H,15H2,1H3
InChIKeyAALCZLNOZWSIAJ-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-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 107813656
2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 82830427
[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine
CID 114324859
3-(5-bromothiophen-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117144382
2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline
CID 61353674
3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061271
2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
CID 43479051
2-bromo-5-methylaniline;ethane
CID 170980783
(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 55266770
3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 145469047
2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 61353068
2-bromo-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61376028

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The IUPAC name of 2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline (CID 107813659) is 2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline.
What is the SMILES notation for 2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The canonical SMILES for 2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline is Cc1ccn2c(-c3ccc(Br)c(N)c3)nnc2c1.
What is the InChIKey of 2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The InChIKey is AALCZLNOZWSIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c1-8-4-5-18-12(6-8)16-17-13(18)9-2-3-10(14)11(15)7-9/h2-7H,15H2,1H3.
What are the key properties of 2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline 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 2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline is sourced from PubChem (CID 107813659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).