| CAS Number | 1034197-72-2 |
| Catalog Number | AG01A93E |
| Chemical Name | 3-ethyl-4-methyl-4H-1,2,4-triazole |
| IUPAC Name | 3-ethyl-4-methyl-1,2,4-triazole |
| InChI | InChI=1S/C5H9N3/c1-3-5-7-6-4-8(5)2/h4H,3H2,1-2H3 |
| InChI Key | FLPWYJGTTKUYRV-UHFFFAOYSA-N |
| MDL Number | MFCD16622035 |
| Molecular Formula | C5H9N3 |
| Molecular Weight | 111.1451 |
| SMILES | CCC1N(C)C=NN=1 |
| Synonyms | 3-ethyl-4-methyl-4H-1,2,4-triazole,
1034197-72-2,
AC1Q2U8H,
SCHEMBL794241,
ZINC57217743,
AKOS017476643,
MCULE-2669104344,
NE16011,
EN300-64084,
Z1197990620,
|
| Complexity | 74.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.148g/mol |
| Monoisotopic Mass | 111.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number