| CAS Number | 80343-16-4 |
| Catalog Number | AG01AC96(AGN-PC-0WODAH) |
| Chemical Name | 1-Methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-amine |
| IUPAC Name | 2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine |
| InChI | InChI=1S/C4H5F3N4/c1-11-3(8)9-2(10-11)4(5,6)7/h1H3,(H2,8,9,10) |
| InChI Key | YHZGCMQWEKYCGW-UHFFFAOYSA-N |
| MDL Number | MFCD20722545 |
| Molecular Formula | C4H5F3N4 |
| Molecular Weight | 166.1045 |
| SMILES | CN1N=C(N=C1N)C(F)(F)F |
| Synonyms | 1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-amine,
80343-16-4,
SCHEMBL10748672,
YHZGCMQWEKYCGW-UHFFFAOYSA-N,
ZINC39283779,
AKOS023791157,
NE43505,
1-Methyl-3-trifluoromethyl-1H-1,2,4-triazole-5-amine,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.107g/mol |
| Monoisotopic Mass | 166.047g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number