| CAS Number | 339103-63-8 |
| Catalog Number | AG00IQYR(AGN-PC-0WAWNI) |
| Chemical Name | N-allyl-6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine |
| IUPAC Name | 6-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine |
| InChI | InChI=1S/C14H13F3N4/c1-3-7-18-12-9(2)20-21-13(19-12)10-5-4-6-11(8-10)14(15,16)17/h3-6,8H,1,7H2,2H3,(H,18,19,21) |
| InChI Key | WOYPEROUMDZUEO-UHFFFAOYSA-N |
| MDL Number | MFCD01316308 |
| Molecular Formula | C14H13F3N4 |
| Molecular Weight | 294.2750 |
| SMILES | FC(F)(F)C2(=CC(C1(=NN=C(C)C(=N1)NCC=C))=CC=C2) |
| Synonyms | 339103-63-8,
N-allyl-6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine,
6-methyl-N-(prop-2-en-1-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine,
AC1O4SK4,
KS-000020EW,
ZINC5533174,
6-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine,
AKOS005103415,
8K-412S,
MCULE-6491143095,
CID6413382,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.281g/mol |
| Monoisotopic Mass | 294.109g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number