3-(1,2,4-Triazol-1-yl)aniline

Name: 3-(1,2,4-Triazol-1-yl)aniline
Brand: ChemScene
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CAS No. 176032-78-3
Cat. No. CS-0156889
Purity≥98%
MDL No.MFCD08271899

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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3-(1,2,4-Triazol-1-yl)aniline|CS-0156889

Structure of 176032-78-3

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General Information

CAS No. 176032-78-3
Cat. No. CS-0156889
Purity ≥98%
MDL No. MFCD08271899
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈N₄
Molecular Weight 160.18
Synonym(s) 3-(1H-1,2,4-Triazol-1-yl)aniline
SMILES C1=CC(=CC(=C1)N2C=NC=N2)N

Description

3-(1,2,4-Triazol-1-yl)aniline features a triazole moiety directly conjugated to an aromatic amine, enabling strong hydrogen bonding and enhanced solubility in polar solvents. This scaffold integrates readily into bioactive molecules, serving as a key building block for pharmaceutical intermediates and functional materials. The electron-rich triazole ring enhances stability and facilitates metal coordination.

Application

3-(1,2,4-Triazol-1-yl)aniline serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through its dual functionality: the aniline nitrogen facilitates electrophilic substitution and amide formation, while the triazolyl group offers hydrogen-bonding capacity and metabolic stability. Its bench-stable solid form and compatibility with common coupling reactions support efficient synthesis of targeted scaffolds for drug discovery programs.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 56.73
LogP 0.8495
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-(1,2,4-Triazol-1-yl)aniline

CAS No. 176032-78-3

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