| CAS Number | 1300118-55-1 |
| Catalog Number | AG009CKX |
| Chemical Name | 1-Ethyl-7-(2-methyl-6-(4H-1,2,4-triazol-3-yl)pyridin-3-yl)-3,5-dihydropyrazino[2,3-b]pyrazin-2(1H)-one Xhydrochloride |
| IUPAC Name | 5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)pyridin-3-yl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;hydrochloride |
| InChI | InChI=1S/C16H16N8O.ClH/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14;/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23);1H |
| InChI Key | RDIPJCOMBMBHJF-UHFFFAOYSA-N |
| MDL Number | MFCD29924713 |
| Molecular Formula | C16H17ClN8O |
| Molecular Weight | 372.8122 |
| SMILES | Cl.O=C1N(C2=NC(=CNC2=NC1)C=3C=CC(=NC3C)C4=NN=CN4)CC |
| Synonyms | CC-115 (hydrochloride),
CC-115 hydrochloride,
1300118-55-1,
SCHEMBL1767621,
BCP20709,
HY-16962A,
AKOS030526389,
CS-5379,
|
| Complexity | 491 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.817g/mol |
| Monoisotopic Mass | 372.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number