| CAS Number | 116247-99-5 |
| Catalog Number | AG019UJB(AGN-PC-000I1A) |
| Chemical Name | 1-(pyrazin-2-yl)piperidin-4-one |
| IUPAC Name | 1-pyrazin-2-ylpiperidin-4-one |
| InChI | InChI=1S/C9H11N3O/c13-8-1-5-12(6-2-8)9-7-10-3-4-11-9/h3-4,7H,1-2,5-6H2 |
| InChI Key | XPCSQADQDLPZMM-UHFFFAOYSA-N |
| MDL Number | MFCD09931195 |
| Molecular Formula | C9H11N3O |
| Molecular Weight | 177.2031 |
| SMILES | O=C1CCN(C2=NC=CN=C2)CC1 |
| Synonyms | 1-(pyrazin-2-yl)piperidin-4-one,
116247-99-5,
AC1Q6ERN,
SCHEMBL7490482,
CTK7H4226,
1-[2-Pyrazinyl]-4-piperidinone,
XPCSQADQDLPZMM-UHFFFAOYSA-N,
ZINC19431771,
AKOS000171457,
MCULE-2693675700,
EN300-41847,
AB01000137-01,
Z31113869,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.207g/mol |
| Monoisotopic Mass | 177.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number