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Home Amines 51884-11-8
51884-11-8,MFCD00461061
Catalog No.:AA00DCR6

51884-11-8 | 5-(4-Methylphenyl)-4h-1,2,4-triazol-3-amine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$112.00   $78.00
- +
5g
95%
in stock  
$411.00   $288.00
- +
10g
95%
in stock  
$760.00   $532.00
- +
25g
95%
in stock  
$1,507.00   $1,055.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DCR6
Chemical Name:
5-(4-Methylphenyl)-4h-1,2,4-triazol-3-amine
CAS Number:
51884-11-8
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
MDL Number:
MFCD00461061
SMILES:
Cc1ccc(cc1)c1nnc([nH]1)N
Properties
Computed Properties
 
Complexity:
165  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.9  

Downstream Synthesis Route
37779-49-0    51884-11-8   
5-benzyl-2-p-tolyl-4H-1,2,4triazolo1,5-apyrimidin-7-one 

[1]EuropeanJournalofMedicinalChemistry,2020,vol.185

614-27-7    51884-11-8   
5-phenyl-2-(p-tolyl)-1,2,4triazolo1,5-apyrimidin-7(4H)-one 

[1]Ding,Jing;Cao,Feng-De;Geng,Yan-Ru;Tian,Yuan;Li,Peng;Li,Xiu-Fen;Huang,Long-Jiang[JournalofAsianNaturalProductsResearch,2019,vol.21,#12,p.1190-1204]

[2]Wu,Jun;Hou,Zhipeng;Wang,Yan;Chen,Liping;Lian,Chengxi;Meng,Qingfei;Zhang,Chaoying;Li,Xiufen;Huang,Longjiang;Yu,Haibo[BioorganicChemistry,2022,vol.119]

Literature

Title: One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.

Journal: Journal of medicinal chemistry 20090723

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SDS
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Tags:51884-11-8 Molecular Formula|51884-11-8 MDL|51884-11-8 SMILES|51884-11-8 5-(4-Methylphenyl)-4h-1,2,4-triazol-3-amine