| CAS Number | 1330756-12-1 |
| Catalog Number | AG00HSQR(AGN-PC-0WB60V) |
| Chemical Name | 1-ethyl-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile |
| IUPAC Name | 1-ethyl-6-oxopyrimidine-5-carbonitrile |
| InChI | InChI=1S/C7H7N3O/c1-2-10-5-9-4-6(3-8)7(10)11/h4-5H,2H2,1H3 |
| InChI Key | ALNOIJZZESNXAU-UHFFFAOYSA-N |
| MDL Number | MFCD19982743 |
| Molecular Formula | C7H7N3O |
| Molecular Weight | 149.1500 |
| SMILES | C1(=O)N(CC)C=NC=C1C#N |
| Synonyms | 1330756-12-1,
1-ethyl-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile,
1-Ethyl-6-oxo-1,6-dihydropyrimidine-5-carbonitrile,
ALBB-018239,
MFCD19982743,
ZINC67425294,
AKOS015959994,
Y-8135,
5-pyrimidinecarbonitrile, 1-ethyl-1,6-dihydro-6-oxo-,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.153g/mol |
| Monoisotopic Mass | 149.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number