| CAS Number | 1423026-73-6 |
| Catalog Number | AG01A3AW(AGN-PC-0WO7BX) |
| Chemical Name | 2-Methyl-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazin-3-one |
| IUPAC Name | 2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one |
| InChI | InChI=1S/C6H10N4O/c1-9-6(11)10-3-2-7-4-5(10)8-9/h7H,2-4H2,1H3 |
| InChI Key | UXJQJZWSAVORIW-UHFFFAOYSA-N |
| MDL Number | MFCD21739753 |
| Molecular Formula | C6H10N4O |
| Molecular Weight | 154.1698 |
| SMILES | CN1C(=O)N2C(CNCC2)=N1 |
| Synonyms | 2-methyl-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazin-3-one,
1423026-73-6,
MFCD21739753,
ZINC85438240,
AKOS015618373,
NE49624,
5,6,7,8-Tetrahydro-2-methyl-1,2,4-triazolo[4,3-a]pyrazin-3(2H)-one,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.173g/mol |
| Monoisotopic Mass | 154.085g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 47.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number