| CAS Number | 1094296-76-0 |
| Catalog Number | AG019XZY(AGN-PC-0WO6QS) |
| Chemical Name | 5-(2,5-Difluorophenyl)-1,2,4-triazin-3-amine |
| IUPAC Name | 5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine |
| InChI | InChI=1S/C9H6F2N4/c10-5-1-2-7(11)6(3-5)8-4-13-15-9(12)14-8/h1-4H,(H2,12,14,15) |
| InChI Key | RYVVGURBKPZANE-UHFFFAOYSA-N |
| MDL Number | MFCD11134069 |
| Molecular Formula | C9H6F2N4 |
| Molecular Weight | 208.1675 |
| SMILES | NC1=NC(C2=C(F)C=CC(F)=C2)=CN=N1 |
| Synonyms | 5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine,
1094296-76-0,
AC1Q52KC,
SCHEMBL2320341,
CTK7B8696,
ZINC36722143,
AKOS008121638,
MCULE-5272725293,
NE19442,
EN300-56523,
Z1262237244,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.172g/mol |
| Monoisotopic Mass | 208.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number