| CAS Number | 1034197-35-7 |
| Catalog Number | AG01BD33 |
| Chemical Name | ethyl 1,5-dimethyl-1H-1,2,4-triazole-3-carboxylate |
| IUPAC Name | ethyl 1,5-dimethyl-1,2,4-triazole-3-carboxylate |
| InChI | InChI=1S/C7H11N3O2/c1-4-12-7(11)6-8-5(2)10(3)9-6/h4H2,1-3H3 |
| InChI Key | MZMKZKULUDWQKT-UHFFFAOYSA-N |
| MDL Number | MFCD18344465 |
| Molecular Formula | C7H11N3O2 |
| Molecular Weight | 169.1811 |
| SMILES | O=C(C1=NN(C)C(C)=N1)OCC |
| Synonyms | ethyl 1,5-dimethyl-1H-1,2,4-triazole-3-carboxylate,
1034197-35-7,
SCHEMBL4784568,
ZINC71049134,
AKOS012688280,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.184g/mol |
| Monoisotopic Mass | 169.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number