4-Amino-1,2,5-oxadiazole-3-carbonitrile

Name: 4-Amino-1,2,5-oxadiazole-3-carbonitrile
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CAS No. 156463-85-3
Cat. No. CS-0080454
Purity≥97%
MDL No.MFCD00235169

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-Amino-1,2,5-oxadiazole-3-carbonitrile|CS-0080454

Structure of 156463-85-3

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General Information

CAS No. 156463-85-3
Cat. No. CS-0080454
Purity ≥97%
MDL No. MFCD00235169
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃H₂N₄O
Molecular Weight 110.07
Synonym(s) 5-amino-2H-1,2,5-oxadiazole-4-carbonitrile
SMILES NC1=NON=C1C#N

Description

4-Amino-1,2,5-oxadiazole-3-carbonitrile features a fused oxadiazole core with complementary amino and nitrile functionalities, enabling integration into bioactive scaffolds. This bench-stable heterocycle combines electron-rich amine reactivity with the synthetic utility of a cyanide group, facilitating coupling reactions and modular derivatization under standard conditions.

Application

4-Amino-1,2,5-oxadiazole-3-carbonitrile serves as a versatile heterocyclic building block in medicinal chemistry and agrochemical synthesis. Its dual functional groups—amino and nitrile—enable diverse downstream transformations, including amidation, cyclization, and coupling reactions. The molecule exhibits good bench stability and facilitates the construction of bioactive scaffolds through reliable reactivity under standard conditions.

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

TPSA 88.73
LogP -0.47652
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Oxadiazole compounds

Key Words

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4-Amino-1,2,5-oxadiazole-3-carbonitrile

CAS No. 156463-85-3

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