| CAS Number | 924296-19-5 |
| Catalog Number | AG00GU33 |
| Chemical Name | DUBs-IN-2 |
| IUPAC Name | (9E)-9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile |
| InChI | InChI=1S/C15H9N5O/c1-2-21-20-14-10-6-4-3-5-9(10)13-15(14)19-12(8-17)11(7-16)18-13/h3-6H,2H2,1H3/b20-14+ |
| InChI Key | VKVAJBRQGBRHIK-XSFVSMFZSA-N |
| MDL Number | MFCD28167759 |
| Molecular Formula | C15H9N5O |
| Molecular Weight | 275.2649 |
| SMILES | C(C)ON=C1C=2C=CC=CC2C2=NC(=C(N=C21)C#N)C#N |
| Synonyms | DUBs-IN-2,
924296-19-5,
SCHEMBL20007615,
HY-50737A,
AKOS030527006,
CS-2848,
A12842,
|
| Complexity | 527 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 275.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.271g/mol |
| Monoisotopic Mass | 275.081g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 95A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number