| CAS Number | 4774-08-7 |
| Catalog Number | AG019SIN(AGN-PC-0AA0S9) |
| Chemical Name | 3-Amino-1-methyl-1,2-dihydropyrazin-2-one |
| IUPAC Name | 3-amino-1-methylpyrazin-2-one |
| InChI | InChI=1S/C5H7N3O/c1-8-3-2-7-4(6)5(8)9/h2-3H,1H3,(H2,6,7) |
| InChI Key | YMOXKDYLIMQTSS-UHFFFAOYSA-N |
| MDL Number | MFCD17250071 |
| Molecular Formula | C5H7N3O |
| Molecular Weight | 125.1286 |
| SMILES | CN1C(=O)C(N)=NC=C1 |
| Synonyms | 3-amino-1-methylpyrazin-2(1H)-one,
3-amino-1-methyl-1,2-dihydropyrazin-2-one,
4774-08-7,
SCHEMBL17327411,
ZINC61749427,
AKOS008154479,
AKOS012236443,
MCULE-4685158572,
NE24660,
EN300-93795,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.131g/mol |
| Monoisotopic Mass | 125.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
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Certificate of Analysis
Lot Number