4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one

Name: 4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
Brand: ChemScene
Availability: InStock
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CAS No. 1008-30-6
Cat. No. CS-0034583
Purity≥95%
MDL No.None

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one|CS-0034583

Structure of 1008-30-6

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Description

4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one features a planar triazolone core bearing a phenyl substituent at the 4-position, delivering enhanced π-stacking potential and solubility in polar organic solvents. This scaffold serves as a stable, electron-rich heterocyclic building block for medicinal chemistry and materials synthesis, particularly in hydrogen-bonding motifs and metal coordination networks.

Application

4-Phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to triazolone-containing scaffolds. Its stability under standard reaction conditions and compatibility with diverse functional groups facilitate straightforward derivatization. The compound functions as a key intermediate in the synthesis of bioactive molecules, particularly those requiring a rigid, polar core for target engagement.

General Information

CAS No. 1008-30-6
Cat. No. CS-0034583
Purity ≥95%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇N₃O
Molecular Weight 161.16
Synonym(s) NSC 93434; 4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
SMILES O=C1NN=CN1C2=CC=CC=C2

Computational Chemistry Data

TPSA 50.68
LogP 0.5606
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

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+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one

CAS No. 1008-30-6

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