| CAS Number | 461430-01-3 |
| Catalog Number | AG00DYAP(AGN-PC-0RUBSR) |
| Chemical Name | 3-(Difluoromethyl)-1H-1,2,4-triazol-5-amine |
| IUPAC Name | 5-(difluoromethyl)-1H-1,2,4-triazol-3-amine |
| InChI | InChI=1S/C3H4F2N4/c4-1(5)2-7-3(6)9-8-2/h1H,(H3,6,7,8,9) |
| InChI Key | AEQYPFRFKQHBER-UHFFFAOYSA-N |
| MDL Number | MFCD18807015 |
| Molecular Formula | C3H4F2N4 |
| Molecular Weight | 134.0875 |
| SMILES | NC1NC(C(F)F)=NN=1 |
| Synonyms | 461430-01-3,
3-(Difluoromethyl)-1H-1,2,4-triazol-5-amine,
MFCD03247150,
ZINC19485644,
AKOS000182481,
AKOS024160750,
AKOS024160751,
1H-1,2,4-Triazol-3-amine,5-(difluoromethyl)-(9CI),
5-(DIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-AMINE,
Z2255082038,
1H-1,2,4-Triazol-3-amine, 5-(difluoromethyl)- (9CI),
|
| Complexity | 97.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.09g/mol |
| Monoisotopic Mass | 134.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number