| CAS Number | 937602-81-8 |
| Catalog Number | AG01AFS5(AGN-PC-0WO1OA) |
| Chemical Name | 1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine |
| IUPAC Name | 1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine |
| InChI | InChI=1S/C4H5F3N4/c5-4(6,7)1-11-2-9-3(8)10-11/h2H,1H2,(H2,8,10) |
| InChI Key | ZOARWOHUVZDDNB-UHFFFAOYSA-N |
| MDL Number | MFCD08696577 |
| Molecular Formula | C4H5F3N4 |
| Molecular Weight | 166.1045 |
| SMILES | NC1=NN(CC(F)(F)F)C=N1 |
| Synonyms | 1-(2,2,2-TRIFLUOROETHYL)-1H-1,2,4-TRIAZOL-3-AMINE,
937602-81-8,
SCHEMBL18578407,
CTK7B7153,
ZINC20348930,
AKOS000313870,
NE24329,
|
| Complexity | 136 |
| 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 | 1 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number