Home Amines 339049-79-5
339049-79-5,MFCD00963054
Catalog No.:AA01EVIC

339049-79-5 | 1-Deoxy-1-[methyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexitol

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Technical Information
Catalog Number:
AA01EVIC
Chemical Name:
1-Deoxy-1-[methyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexitol
CAS Number:
339049-79-5
Molecular Formula:
C12H19N5O5
Molecular Weight:
313.3098
MDL Number:
MFCD00963054
SMILES:
OCC(C(C(C(CN(c1ccnc2n1ncn2)C)O)O)O)O
Properties
Computed Properties
 
Complexity:
352  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
5  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
4  
XLogP3:
-2.6  

Literature
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SDS
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Tags:339049-79-5 Molecular Formula|339049-79-5 MDL|339049-79-5 SMILES|339049-79-5 1-Deoxy-1-[methyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexitol