| CAS Number | 133365-36-3 |
| Catalog Number | AG019Z8X(AGN-PC-003RL1) |
| Chemical Name | 2H,3H,5H,6H,8H-[1,2,4]Triazolo[3,4-C]Morpholin-3-One |
| IUPAC Name | 2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one |
| InChI | InChI=1S/C5H7N3O2/c9-5-7-6-4-3-10-2-1-8(4)5/h1-3H2,(H,7,9) |
| InChI Key | JTBPOWLXXJXBSN-UHFFFAOYSA-N |
| MDL Number | MFCD22196645 |
| Molecular Formula | C5H7N3O2 |
| Molecular Weight | 141.1280 |
| SMILES | N=1NC(N2C1COCC2)=O |
| Synonyms | 2H,3H,5H,6H,8H-[1,2,4]triazolo[3,4-c]morpholin-3-one,
133365-36-3,
5,6-Dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3(8H)-one,
SCHEMBL3532688,
MFCD22196645,
ZINC25950340,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.13g/mol |
| Monoisotopic Mass | 141.054g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 53.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number