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105216-69-1 | [1,2,4]Triazolo[1,5-a][1,3,5]triazine-2-sulfonamide
CAS No: 105216-69-1 Catalog No: AG0085AJ MDL No:
Product Description
Catalog Number:
AG0085AJ
Chemical Name:
[1,2,4]Triazolo[1,5-a][1,3,5]triazine-2-sulfonamide
CAS Number:
105216-69-1
Molecular Formula:
C4H4N6O2S
Molecular Weight:
200.1786
IUPAC Name:
[1,2,4]triazolo[1,5-a][1,3,5]triazine-2-sulfonamide
InChI:
InChI=1S/C4H4N6O2S/c5-13(11,12)4-8-3-7-1-6-2-10(3)9-4/h1-2H,(H2,5,11,12)
InChI Key:
IRPDHFAWUJOWPF-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1nn2c(n1)ncnc2
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.176g/mol
Monoisotopic Mass:
200.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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