3-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline

Name: 3-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline
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CAS No. 1461706-73-9
Cat. No. CS-0181064
Purity≥95%
MDL No.None

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3-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline|CS-0181064

Structure of 1461706-73-9

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General Information

CAS No. 1461706-73-9
Cat. No. CS-0181064
Purity ≥95%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₀N₄
Molecular Weight 174.20
Synonym(s) None
SMILES NC1=CC=CC(C2=NN(C)C=N2)=C1

Description

This 3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline integrates a methyl-substituted triazole ring with an aniline scaffold, enabling robust coordination in transition metal complexes. The electron-rich triazole moiety enhances solubility and stability under standard conditions, while the pendant amine facilitates downstream functionalization.

Application

3-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard coupling and functionalization reactions. The triazolyl moiety provides enhanced solubility and hydrogen-bonding capacity, while the aniline handle supports facile derivatization via amide formation, electrophilic substitution, or metal-catalyzed cross-coupling. Bench-stable and readily purified by recrystallization, it functions as a reliable scaffold for targeted library synthesis.

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-P330-P362-P405-P501

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Computational Chemistry Data

TPSA 56.73
LogP 1.0643
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-Methyl-1H-1,2,4-triazol-3-yl)aniline

CAS No. 1461706-73-9

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