| CAS Number | 1090921-40-6 |
| Catalog Number | AG01E98Z(AGN-PC-0WO363) |
| Chemical Name | 2-(3-ethyl-1H-1,2,4-triazol-5-yl)aniline |
| IUPAC Name | 2-(5-ethyl-1H-1,2,4-triazol-3-yl)aniline |
| InChI | InChI=1S/C10H12N4/c1-2-9-12-10(14-13-9)7-5-3-4-6-8(7)11/h3-6H,2,11H2,1H3,(H,12,13,14) |
| InChI Key | WWNOHLDYIKDFMZ-UHFFFAOYSA-N |
| MDL Number | MFCD13704511 |
| Molecular Formula | C10H12N4 |
| Molecular Weight | 188.2291 |
| SMILES | CCC1N=C(C2=C(N)C=CC=C2)NN=1 |
| Synonyms | 2-(3-ethyl-1H-1,2,4-triazol-5-yl)aniline,
SCHEMBL7465455,
ZINC32830950,
AKOS005199533,
AKOS022475703,
MCULE-7307403775,
NE34487,
BB 0241389,
2-(5-ethyl-4H-1,2,4-triazol-3-yl)aniline,
2-(5-Ethyl-2H-[1,2,4]triazol-3-yl)-phenylamine,
F2183-1228,
Z235352923,
1090921-40-6,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.234g/mol |
| Monoisotopic Mass | 188.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number