| CAS Number | 34102-81-3 |
| Catalog Number | AG01C28L |
| Chemical Name | 7-phenyl-4H,5H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one |
| IUPAC Name | 7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one |
| InChI | InChI=1S/C11H8N4O/c16-10-6-9(8-4-2-1-3-5-8)15-11(14-10)12-7-13-15/h1-7H,(H,12,13,14,16) |
| InChI Key | ACUIPZKNCVNUTM-UHFFFAOYSA-N |
| MDL Number | MFCD24560069 |
| Molecular Formula | C11H8N4O |
| Molecular Weight | 212.2074 |
| SMILES | O=C1NC2N(N=CN=2)C(C2=CC=CC=C2)=C1 |
| Synonyms | 7-phenyl-4H,5H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one,
34102-81-3,
SCHEMBL8943817,
ZINC34434747,
AKOS033848762,
Z2284388460,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.212g/mol |
| Monoisotopic Mass | 212.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number