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112809-25-3,MFCD07368016
Catalog No.:AA007S4K

112809-25-3 | 4-((1H-1,2,4-Triazol-1-yl)methyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%(GC)
in stock  
$72.00   $50.00
- +
5g
98%(GC)
in stock  
$288.00   $202.00
- +
10g
98%(GC)
in stock  
$574.00   $402.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007S4K
Chemical Name:
4-((1H-1,2,4-Triazol-1-yl)methyl)benzonitrile
CAS Number:
112809-25-3
Molecular Formula:
C10H8N4
Molecular Weight:
184.1973
MDL Number:
MFCD07368016
SMILES:
N#Cc1ccc(cc1)Cc1n[nH]cn1
Properties
Computed Properties
 
Complexity:
224  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.6  

Downstream Synthesis Route
63416-70-6    112809-25-3   
1-1-(4-cyanophenyl)4-(4-fluorophenyl)-2-hydroxybutyl-1,2,4-triazole 

[1]Karjalainen,Arto;Kalapudas,Arja;Soedervall,Marja;Pelkonen,Olavi;Lammintausta,Risto[EuropeanJournalofPharmaceuticalSciences,2000,vol.11,#2,p.109-131]

112809-25-3   
1-1-(4-cyanophenyl)-4-(4-fluorophenyl)-1-butenyl-1,2,4-triazole 

[1]Karjalainen,Arto;Kalapudas,Arja;Soedervall,Marja;Pelkonen,Olavi;Lammintausta,Risto[EuropeanJournalofPharmaceuticalSciences,2000,vol.11,#2,p.109-131]

[1]CurrentPatentAssignee:NATCOPHARMALIMITED-WO2005/47269,2005,A1Locationinpatent:Page/Pagecolumn7-8

[2]CurrentPatentAssignee:ZYDUSLIFESCIENCESLTD-WO2007/54964,2007,A2Locationinpatent:Page/Pagecolumn2;4;5;10-11

[3]CurrentPatentAssignee:ZYDUSLIFESCIENCESLTD-US2010/190997,2010,A1Locationinpatent:Page/Pagecolumn6

[4]CurrentPatentAssignee:VIATRISINC-WO2012/25762,2012,A2Locationinpatent:Page/Pagecolumn40

[1]CurrentPatentAssignee:NATCOPHARMALIMITED-WO2005/47269,2005,A1Locationinpatent:Page/Pagecolumn7-8

[1]CurrentPatentAssignee:NATCOPHARMALIMITED-WO2005/47269,2005,A1Locationinpatent:Page/Pagecolumn7-8

Literature

Title: New aromatase inhibitors from the 3-pyridyl arylether and 1-aryl pyrrolo[2,3-c]pyridine series.

Journal: Bioorganic & medicinal chemistry letters 20120301

Title: Synthesis and structure-activity relationship of 1- and 2-substituted-1,2,3-triazole letrozole-based analogues as aromatase inhibitors.

Journal: European journal of medicinal chemistry 20110901

Quotation Request
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SDS
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Tags:112809-25-3 Molecular Formula|112809-25-3 MDL|112809-25-3 SMILES|112809-25-3 4-((1H-1,2,4-Triazol-1-yl)methyl)benzonitrile
Catalog No.: AA007S4K
112809-25-3,MFCD07368016
112809-25-3 | 4-((1H-1,2,4-Triazol-1-yl)methyl)benzonitrile
Pack Size： 1g
Purity： 98%(GC)
in stock
$72.00 $50.00
Pack Size： 5g
Purity： 98%(GC)
in stock
$288.00 $202.00
Pack Size： 10g
Purity： 98%(GC)
in stock
$574.00 $402.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007S4K
Chemical Name: 4-((1H-1,2,4-Triazol-1-yl)methyl)benzonitrile
CAS Number: 112809-25-3
Molecular Formula: C10H8N4
Molecular Weight: 184.1973
MDL Number: MFCD07368016
SMILES: N#Cc1ccc(cc1)Cc1n[nH]cn1
Properties
Complexity: 224  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.6  
Downstream Synthesis Route
63416-70-6    112809-25-3   
1-1-(4-cyanophenyl)4-(4-fluorophenyl)-2-hydroxybutyl-1,2,4-triazole 

[1]Karjalainen,Arto;Kalapudas,Arja;Soedervall,Marja;Pelkonen,Olavi;Lammintausta,Risto[EuropeanJournalofPharmaceuticalSciences,2000,vol.11,#2,p.109-131]

112809-25-3   
1-1-(4-cyanophenyl)-4-(4-fluorophenyl)-1-butenyl-1,2,4-triazole 

[1]Karjalainen,Arto;Kalapudas,Arja;Soedervall,Marja;Pelkonen,Olavi;Lammintausta,Risto[EuropeanJournalofPharmaceuticalSciences,2000,vol.11,#2,p.109-131]

288-88-0    17201-43-3    112809-27-5    112809-25-3 

[1]CurrentPatentAssignee:NATCOPHARMALIMITED-WO2005/47269,2005,A1Locationinpatent:Page/Pagecolumn7-8

[2]CurrentPatentAssignee:ZYDUSLIFESCIENCESLTD-WO2007/54964,2007,A2Locationinpatent:Page/Pagecolumn2;4;5;10-11

[3]CurrentPatentAssignee:ZYDUSLIFESCIENCESLTD-US2010/190997,2010,A1Locationinpatent:Page/Pagecolumn6

[4]CurrentPatentAssignee:VIATRISINC-WO2012/25762,2012,A2Locationinpatent:Page/Pagecolumn40

112809-27-5    112809-25-3    112809-28-6    112809-26-4 

[1]CurrentPatentAssignee:NATCOPHARMALIMITED-WO2005/47269,2005,A1Locationinpatent:Page/Pagecolumn7-8

112809-26-4    112809-25-3 

[1]CurrentPatentAssignee:NATCOPHARMALIMITED-WO2005/47269,2005,A1Locationinpatent:Page/Pagecolumn7-8

Literature fold

Title: New aromatase inhibitors from the 3-pyridyl arylether and 1-aryl pyrrolo[2,3-c]pyridine series.

Journal: Bioorganic & medicinal chemistry letters20120301

Title: Synthesis and structure-activity relationship of 1- and 2-substituted-1,2,3-triazole letrozole-based analogues as aromatase inhibitors.

Journal: European journal of medicinal chemistry20110901

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