Home Aminos 1-Deoxy-1-[methyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexitol

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

CAS No.:
339049-79-5
Catalog Number:
AG01EVL4
Molecular Formula:
C12H19N5O5
Molecular Weight:
313.3098
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
1 week
United States
$371
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Product Description
Catalog Number:
AG01EVL4
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
IUPAC Name:
6-[methyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol
InChI:
InChI=1S/C12H19N5O5/c1-16(4-7(19)10(21)11(22)8(20)5-18)9-2-3-13-12-14-6-15-17(9)12/h2-3,6-8,10-11,18-22H,4-5H2,1H3
InChI Key:
XMYOOLHKDQVQHP-UHFFFAOYSA-N
SMILES:
OCC(C(C(C(CN(c1ccnc2n1ncn2)C)O)O)O)O
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.139g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
313.314g/mol
Monoisotopic Mass:
313.139g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6  
Properties