20271-35-6

Basic information

• Product Name: 1H-1,2,3-Triazole-4-carbonitrile, 5-amino-1- (phenylmethyl)-
• Synonyms: 1H-1,2,3-Triazole-4-carbonitrile, 5-amino-1- (phenylmethyl)-
• CAS NO: 20271-35-6
• Molecular Formula: C₁₀H₉N₅
• Molecular Weight: 199.216
• Mol File: 20271-35-6.mol
• Article Data: 6

Chemical Properties

• Melting Point: 184 °C(Solv: water (7732-18-5))
• Boiling Point: 472.9°C at 760 mmHg
• Flash Point: 239.8°C
• Appearance: /
• Density: 1.32g/cm³
• Vapor Pressure: 4.11E-09mmHg at 25°C
• Refractive Index: 1.689
• PKA: -2.13±0.13(Predicted)
• CAS DataBase Reference: 1H-1,2,3-Triazole-4-carbonitrile, 5-amino-1- (phenylmethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-1,2,3-Triazole-4-carbonitrile, 5-amino-1- (phenylmethyl)-(20271-35-6)
• EPA Substance Registry System: 1H-1,2,3-Triazole-4-carbonitrile, 5-amino-1- (phenylmethyl)-(20271-35-6)

Safety Data

• Hazardous Substances Data: 20271-35-6(Hazardous Substances Data)

Usage

Structure

1H-1,2,3-triazole-4-carbonitrile, 5-amino-1-(phenylmethyl)-

Functional groups

carbonitrile, amino

Attachment position

amino group at position 5

Usage

intermediate in the synthesis of pharmaceuticals and agrochemicals

Potential applications

development of new drugs

Building block

versatile for the synthesis of biologically active molecules

Stability

triazole ring structure enhances potential for chemical transformations

InChI:InChI=1/C10H9N5/c11-6-9-10(12)15(14-13-9)7-8-4-2-1-3-5-8/h1-5H,7,12H2

Upstream product

• 64-17-5 ethanol 
• 141-52-6 sodium ethanolate 
• 622-79-7 benzyl azide 
• 109-77-3 malononitrile 
• 4342-08-9 4-amino-3-benzyl-1,2,3-triazole-5-carboxamide 
• 75-05-8 acetonitrile 
• 941-55-9 4-toluenesulfonyl azide 

Downstream Products

• 20271-34-5 ZIN⁽⁷⁰³⁾C₀₁₃₂₁ 
• 116564-50-2 N-(3-Benzyl-5-cyano-3H-[1,2,3]triazol-4-yl)-acetimidic acid ethyl ester 
• 77976-38-6 3-benzyl-4-ethoxalylamino-3H-1,2,3-triazole-5-carbonitrile 
• 127197-88-0 3-Benzyl-5-(4,5-dihydro-1H-imidazol-2-yl)-3H-[1,2,3]triazol-4-ylamine 
• 127197-92-6 3-Benzyl-5-(4-methyl-4,5-dihydro-1H-imidazol-2-yl)-3H-[1,2,3]triazol-4-ylamine 
• 124127-55-5 3-Benzyl-5-(1,4,5,6-tetrahydro-pyrimidin-2-yl)-3H-[1,2,3]triazol-4-ylamine 
• 127197-97-1 3-Benzyl-5-(4,5,6,7-tetrahydro-1H-[1,3]diazepin-2-yl)-3H-[1,2,3]triazol-4-ylamine 
• 51364-03-5 N-<3-Benzyl-5-cyan-3H-1,2,3-triazol-4-yl>acetimidsaeure-ethylester 
• 103912-97-6 1-benzyl-4-cyano-5-chloro-1,2,3-triazole 
• 94078-83-8 5-Amino-1-benzyl-1,2,3-triazol-4-carboxamidoxim 
• 77976-42-2 4-amino-3-benzyl-5-oxamoylaminomethyl-3H-1,2,3-triazole 
• 77976-40-0 3-benzyl-4-oxamoylamino-3H-1,2,3-triazole-5-carbonitrile 
• 94079-03-5 4-Amino-1-benzyl-6-phenyl-1H-1,2,3-triazolo<4,5-d>pyrimidin 
• 116564-55-7 3-Benzyl-3,6-dihydro-7-imino-3H-1,2,3-triazolo<4,5-d>pyrimidin-6-amin 

Relevant articles and documents

Energetic derivatives of 5-(5-amino-2H-1,2,3-triazol-4-yl)-1H-tetrazole

This study presents the preparation of the novel nitrogen-rich compound 5-(5-amino-2H-1,2,3-triazol-4-yl)-1H-tetrazole (5) from commercially available chemicals in a five step synthesis. The more energetic derivatives with azido (6) and nitro (7) groups, as well as a diazene bridge (8) were also successfully prepared. The energetic compounds were comprehensively characterized by various means, including vibrational (IR, Raman) and multinuclear (1H, 13C, 14N, 15N) NMR spectroscopy, mass spectrometry and differential thermal analysis. The sensitivities towards important outer stimuli (impact, friction, electrostatic discharge) were determined according to BAM standards. The enthalpies of formation were calculated on the CBS-4M level of theory, revealing highly endothermic values, and were utilized to calculate the detonation parameters using EPXLO5 (6.02).

2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES

The present invention relates to derivatives of formula (I) wherein Ring A, X, Y, Z, RA, R1, R2, R3 and R4 are The present invention discloses derivatives of formula (I), wherein Ring A, X, Y, Z, RA, R1, R2, R3 and R4 are as described in the description, and in particular e.g. 2,4,6,7-tetrahydro-pyrazolo[4,3- d]pyrimidin-5-one derivatives and related compounds, their preparation, pharmaceutically acceptable salts thereof, their use as pharmaceuticals, pharmaceutical compositions containing one or more compounds of formula (I), and especially their use as C5a receptor modulators for treating e.g. vasculitis and inflammatory diseases.

'One pot' synthesis of 2,9-disubstituted 8-azaadenines (3,5-disubstituted 7-amino-3H-1,2,3-triazolo[4,5-d]pyrimidines)

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