1H-1,2,4-Triazole-5-methanamine

Name: 1H-1,2,4-Triazole-5-methanamine
Brand: ChemScene
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CAS No. 58502-29-7
Cat. No. CS-0432826
Purity≥97%
MDL No.MFCD06410878

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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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1H-1,2,4-Triazole-5-methanamine|CS-0432826

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General Information

CAS No. 58502-29-7
Cat. No. CS-0432826
Purity ≥97%
MDL No. MFCD06410878
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃H₆N₄
Molecular Weight 98.11
Synonym(s) 1H-1,2,4-Triazole-3-methanamine
SMILES NCC1=NC=NN1

Description

1H-1,2,4-Triazole-5-methanamine serves as a versatile nitrogen-rich scaffold for medicinal chemistry and catalyst design. This bench-stable compound features a primary amine group at the 5-position, enabling direct conjugation or derivatization. The triazole core imparts enhanced metabolic stability and hydrogen-bonding capacity, facilitating target engagement in drug discovery campaigns.

Application

1H-1,2,4-Triazole-5-methanamine serves as a versatile building block in medicinal chemistry, enabling the synthesis of triazolyl-containing scaffolds through amine-directed functionalization. Its reactive primary amine facilitates conjugation with carboxylic acids, aldehydes, and electrophiles, while the triazole ring provides metabolic stability and hydrogen-bonding capacity. The compound exhibits good bench stability and ease of purification, making it suitable for iterative synthesis workflows and library generation in drug discovery programs.

Safety Information

Download SDS

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 67.59
LogP -0.7366
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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1H-1,2,4-Triazole-5-methanamine

CAS No. 58502-29-7

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