| CAS Number | 43183-55-7 |
| Catalog Number | AG00DU22(AGN-PC-0JSZVR) |
| Chemical Name | 4-ethyl-4H-1,2,4-triazole |
| IUPAC Name | 4-ethyl-1,2,4-triazole |
| InChI | InChI=1S/C4H7N3/c1-2-7-3-5-6-4-7/h3-4H,2H2,1H3 |
| InChI Key | SEAZNTDWFMFOKA-UHFFFAOYSA-N |
| MDL Number | MFCD24197082 |
| Molecular Formula | C4H7N3 |
| Molecular Weight | 97.1185 |
| SMILES | CCN1C=NN=C1 |
| Synonyms | 4-Ethyl-1,2,4-triazole,
4-Ethyl-4H-1,2,4-triazole,
43183-55-7,
4H-1,2,4-Triazole, 4-ethyl-,
AC1LBY27,
CTK6F0384,
SEAZNTDWFMFOKA-UHFFFAOYSA-N,
4-Ethyl-4H-1,2,4-triazole #,
CID566284,
|
| Complexity | 48.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 97.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 97.121g/mol |
| Monoisotopic Mass | 97.064g/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