7-Amino-2-(2-furyl)-5-(methylsulfonyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine - CAS 139181-28-5
Catalog: |
BB008904 |
Product Name: |
7-Amino-2-(2-furyl)-5-(methylsulfonyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine |
CAS: |
139181-28-5 |
Synonyms: |
2-(2-furanyl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine; 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine |
IUPAC Name: | 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine |
Description: | 7-Amino-2-(2-furyl)-5-(methylsulfonyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine (CAS# 139181-28-5 ) is a useful research chemical. |
Molecular Weight: | 280.26 |
Molecular Formula: | C9H8N6O3S |
Canonical SMILES: | CS(=O)(=O)C1=NC2=NC(=NN2C(=N1)N)C3=CC=CO3 |
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 |
LogP: | 1.42700 |
Publication Number | Title | Priority Date |
WO-2021105916-A1 | Sulfonamide compounds targeting cd73 and adenosine receptors | 20191126 |
US-2020102319-A1 | Non brain penetrant a2a inhibitors and methods for use in the treatment of cancers | 20180927 |
CN-111051309-A | Triazolotriazine derivatives useful as A2A receptor antagonists | 20180626 |
CN-111164084-A | Triazolotriazine derivatives useful as A2A receptor antagonists | 20180626 |
WO-2020002968-A1 | Triazolotriazine derivatives as a2a receptor antagonists | 20180626 |
Complexity: | 440 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.03785931 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.03785931 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 138 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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