CB75559092 - CAS 2135331-92-7
Catalog: |
BB054804 |
Product Name: |
CB75559092 |
CAS: |
2135331-92-7 |
Synonyms: |
N-(5-(8-AMINO-3-METHYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL)-2-METHYLPHENYL)METHANESULFONAMIDE |
IUPAC Name: | N-[5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-methylphenyl]methanesulfonamide |
Molecular Weight: | 332.38 |
Molecular Formula: | C14H16N6O2S |
Canonical SMILES: | CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C(=C2)N)C)NS(=O)(=O)C |
InChI: | InChI=1S/C14H16N6O2S/c1-8-4-5-10(6-12(8)19-23(3,21)22)13-7-11(15)14-17-16-9(2)20(14)18-13/h4-7,19H,15H2,1-3H3 |
InChI Key: | COYMWGBRBXFYEM-UHFFFAOYSA-N |
Appearance: | Solid Powder |
Complexity: | 524 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 332.10554495 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 332.10554495 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 124 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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Related Functional Groups
Amines and Anilines
Pyridazines
Sulfur Compounds
Triazole/Tetrazole
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