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76955-91-4,MFCD00465598
Catalog No.:AA005F72

76955-91-4 | 3-(2-Phenylethyl)-1h-1,2,4-triazol-5-amine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$40.00   $28.00
- +
5g
95%
in stock  
$161.00   $113.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA005F72
Chemical Name:
3-(2-Phenylethyl)-1h-1,2,4-triazol-5-amine
CAS Number:
76955-91-4
Molecular Formula:
C10H12N4
Molecular Weight:
188.2291
MDL Number:
MFCD00465598
SMILES:
Nc1[nH]nc(n1)CCc1ccccc1
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
168  
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:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Palysaeva,NadezhdaV.;Kumpan,KaterinaP.;Struchkova,MarinaI.;Dalinger,IgorL.;Kormanov,AleksandrV.;Aleksandrova,NatalyS.;Chernyshev,VictorM.;Pyreu,DmitriiF.;Suponitsky,KyrillYu.;Sheremetev,AlekseiB.[OrganicLetters,2014,vol.16,#2,p.406-409]

[1]Palysaeva,NadezhdaV.;Kumpan,KaterinaP.;Struchkova,MarinaI.;Dalinger,IgorL.;Kormanov,AleksandrV.;Aleksandrova,NatalyS.;Chernyshev,VictorM.;Pyreu,DmitriiF.;Suponitsky,KyrillYu.;Sheremetev,AlekseiB.[OrganicLetters,2014,vol.16,#2,p.406-409]

[1]Palysaeva,NadezhdaV.;Kumpan,KaterinaP.;Struchkova,MarinaI.;Dalinger,IgorL.;Kormanov,AleksandrV.;Aleksandrova,NatalyS.;Chernyshev,VictorM.;Pyreu,DmitriiF.;Suponitsky,KyrillYu.;Sheremetev,AlekseiB.[OrganicLetters,2014,vol.16,#2,p.406-409]

[1]Liu,Jian;Wen,Yu;Gao,Lina;Gao,Liang;He,Fengjun;Zhou,Jingxian;Wang,Junwei;Dai,Rupeng;Chen,Xiaojing;Kang,Di;Hu,Lihong[JournalofEnzymeInhibitionandMedicinalChemistry,2020,vol.35,#1,p.72-84]

[1]Liu,Jian;Wen,Yu;Gao,Lina;Gao,Liang;He,Fengjun;Zhou,Jingxian;Wang,Junwei;Dai,Rupeng;Chen,Xiaojing;Kang,Di;Hu,Lihong[JournalofEnzymeInhibitionandMedicinalChemistry,2020,vol.35,#1,p.72-84]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:76955-91-4 Molecular Formula|76955-91-4 MDL|76955-91-4 SMILES|76955-91-4 3-(2-Phenylethyl)-1h-1,2,4-triazol-5-amine
Catalog No.: AA005F72
76955-91-4,MFCD00465598
76955-91-4 | 3-(2-Phenylethyl)-1h-1,2,4-triazol-5-amine
Pack Size： 1g
Purity： 95%
in stock
$40.00 $28.00
Pack Size： 5g
Purity： 95%
in stock
$161.00 $113.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA005F72
Chemical Name: 3-(2-Phenylethyl)-1h-1,2,4-triazol-5-amine
CAS Number: 76955-91-4
Molecular Formula: C10H12N4
Molecular Weight: 188.2291
MDL Number: MFCD00465598
SMILES: Nc1[nH]nc(n1)CCc1ccccc1
Properties
Form: Solid  
Complexity: 168  
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: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Downstream Synthesis Route
76955-91-4    220696-97-9    1527497-98-8 

[1]Palysaeva,NadezhdaV.;Kumpan,KaterinaP.;Struchkova,MarinaI.;Dalinger,IgorL.;Kormanov,AleksandrV.;Aleksandrova,NatalyS.;Chernyshev,VictorM.;Pyreu,DmitriiF.;Suponitsky,KyrillYu.;Sheremetev,AlekseiB.[OrganicLetters,2014,vol.16,#2,p.406-409]

501-52-0    76955-91-4 

[1]Palysaeva,NadezhdaV.;Kumpan,KaterinaP.;Struchkova,MarinaI.;Dalinger,IgorL.;Kormanov,AleksandrV.;Aleksandrova,NatalyS.;Chernyshev,VictorM.;Pyreu,DmitriiF.;Suponitsky,KyrillYu.;Sheremetev,AlekseiB.[OrganicLetters,2014,vol.16,#2,p.406-409]

1937-19-5    645-45-4    76955-91-4 

[1]Palysaeva,NadezhdaV.;Kumpan,KaterinaP.;Struchkova,MarinaI.;Dalinger,IgorL.;Kormanov,AleksandrV.;Aleksandrova,NatalyS.;Chernyshev,VictorM.;Pyreu,DmitriiF.;Suponitsky,KyrillYu.;Sheremetev,AlekseiB.[OrganicLetters,2014,vol.16,#2,p.406-409]

100-52-7    76955-91-4 

[1]Liu,Jian;Wen,Yu;Gao,Lina;Gao,Liang;He,Fengjun;Zhou,Jingxian;Wang,Junwei;Dai,Rupeng;Chen,Xiaojing;Kang,Di;Hu,Lihong[JournalofEnzymeInhibitionandMedicinalChemistry,2020,vol.35,#1,p.72-84]

621-82-9    76955-91-4 

[1]Liu,Jian;Wen,Yu;Gao,Lina;Gao,Liang;He,Fengjun;Zhou,Jingxian;Wang,Junwei;Dai,Rupeng;Chen,Xiaojing;Kang,Di;Hu,Lihong[JournalofEnzymeInhibitionandMedicinalChemistry,2020,vol.35,#1,p.72-84]

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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