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139181-28-5 | [1,2,4]Triazolo[1,5-a][1,3,5]triazin-7-amine, 2-(2-furanyl)-5-(methylsulfonyl)-
CAS No: 139181-28-5 Catalog No: AG001AFU MDL No:
Product Description
Catalog Number:
AG001AFU
Chemical Name:
[1,2,4]Triazolo[1,5-a][1,3,5]triazin-7-amine, 2-(2-furanyl)-5-(methylsulfonyl)-
CAS Number:
139181-28-5
Molecular Formula:
C9H8N6O3S
Molecular Weight:
280.2632
IUPAC Name:
2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
InChI:
InChI=1S/C9H8N6O3S/c1-19(16,17)9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-18-5/h2-4H,1H3,(H2,10,11,12,13,14)
InChI Key:
GADARANMSDTFBO-UHFFFAOYSA-N
SMILES:
Nc1nc(nc2n1nc(n2)c1ccco1)S(=O)(=O)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.038g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.262g/mol
Monoisotopic Mass:
280.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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