Home Aminos (1S)-1-{4-amino-5-[(1S)-1-hydroxyethyl]-4H-1,2,4-triazol-3-yl}ethan-1-ol

(1S)-1-{4-amino-5-[(1S)-1-hydroxyethyl]-4H-1,2,4-triazol-3-yl}ethan-1-ol

CAS No.:
111853-53-3
Catalog Number:
AG00L5HC
Molecular Formula:
C6H12N4O2
Molecular Weight:
172.1851
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
90%
1 week
United States
$371
- +
Product Description
Catalog Number:
AG00L5HC
Chemical Name:
(1S)-1-{4-amino-5-[(1S)-1-hydroxyethyl]-4H-1,2,4-triazol-3-yl}ethan-1-ol
CAS Number:
111853-53-3
Molecular Formula:
C6H12N4O2
Molecular Weight:
172.1851
MDL Number:
MFCD03837525
IUPAC Name:
(1S)-1-[4-amino-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol
InChI:
InChI=1S/C6H12N4O2/c1-3(11)5-8-9-6(4(2)12)10(5)7/h3-4,11-12H,7H2,1-2H3/t3-,4-/m0/s1
InChI Key:
JOXDXBMIJJFJMN-IMJSIDKUSA-N
SMILES:
C[C@@H](c1nnc(n1N)[C@@H](O)C)O
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
172.096g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
172.188g/mol
Monoisotopic Mass:
172.096g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties