| CAS Number | 1494914-07-6 |
| Catalog Number | AG01DVED |
| Chemical Name | METHYL 1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE |
| IUPAC Name | methyl 1-pyrimidin-2-yl-1,2,4-triazole-3-carboxylate |
| InChI | InChI=1S/C8H7N5O2/c1-15-7(14)6-11-5-13(12-6)8-9-3-2-4-10-8/h2-5H,1H3 |
| InChI Key | NBCLKNNSTJKNTM-UHFFFAOYSA-N |
| MDL Number | MFCD23723240 |
| Molecular Formula | C8H7N5O2 |
| Molecular Weight | 205.1735 |
| SMILES | COC(C1=NN(C2=NC=CC=N2)C=N1)=O |
| Synonyms | METHYL 1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE,
1494914-07-6,
AKOS017392821,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.177g/mol |
| Monoisotopic Mass | 205.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 82.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number