| CAS Number | 627544-97-2 |
| Catalog Number | AG01A4U1(AGN-PC-008LSK) |
| Chemical Name | 3-[(3-Fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine |
| IUPAC Name | 5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine |
| InChI | InChI=1S/C9H9FN4/c10-7-3-1-2-6(4-7)5-8-12-9(11)14-13-8/h1-4H,5H2,(H3,11,12,13,14) |
| InChI Key | FCZVORHREVKMLY-UHFFFAOYSA-N |
| MDL Number | MFCD24369131 |
| Molecular Formula | C9H9FN4 |
| Molecular Weight | 192.1930 |
| SMILES | FC=1C=C(C=CC1)CC1=NNC(=N1)N |
| Synonyms | 5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine,
627544-97-2,
ZINC48630469,
AKOS010528958,
AKOS023364271,
AKOS023364274,
MCULE-3895067333,
NE29339,
3-Amino-5-(3-fluorobenzyl)-1H-1,2,4-triazole,
3-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine,
Z1601554835,
CID11412867,
5-(3-fluorobenzyl)-1H-1,2,4-triazol-3-amine,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.197g/mol |
| Monoisotopic Mass | 192.081g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number