| CAS Number | 1609406-60-1 |
| Catalog Number | AG00J1AS(AGN-PC-0WB77D) |
| Chemical Name | 3-(5-Methyl-4H-1,2,4-triazol-3-yl)aniline hydrate |
| IUPAC Name | 3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline;hydrate |
| InChI | InChI=1S/C9H10N4.H2O/c1-6-11-9(13-12-6)7-3-2-4-8(10)5-7;/h2-5H,10H2,1H3,(H,11,12,13);1H2 |
| InChI Key | WNNZJFVNICBRSG-UHFFFAOYSA-N |
| MDL Number | MFCD08059833 |
| Molecular Formula | C9H12N4O |
| Molecular Weight | 192.2178 |
| SMILES | C1(C2=CC=CC(N)=C2)NC(=NN=1)C.O |
| Synonyms | 1609406-60-1,
3-(5-Methyl-4H-1,2,4-triazol-3-yl)aniline hydrate,
[3-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]amine hydrate,
SCHEMBL17103297,
ZX-CM003716,
MFCD13193921,
AKOS027426710,
[3-(5-Methyl-4H-1,2,4-triazol-3-yl)phenyl]amine hydrate, AldrichCPR,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.222g/mol |
| Monoisotopic Mass | 192.101g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number