| CAS Number | 99584-30-2 |
| Catalog Number | AG01C4YH |
| Chemical Name | 1-Phenyl-1H-1,2,3-triazol-5-amine |
| IUPAC Name | 3-phenyltriazol-4-amine |
| InChI | InChI=1S/C8H8N4/c9-8-6-10-11-12(8)7-4-2-1-3-5-7/h1-6H,9H2 |
| InChI Key | YDXSWXCCLCCENV-UHFFFAOYSA-N |
| MDL Number | MFCD20694941 |
| Molecular Formula | C8H8N4 |
| Molecular Weight | 160.1759 |
| SMILES | NC1N(C2=CC=CC=C2)N=NC=1 |
| Synonyms | 1-Phenyl-1H-1,2,3-triazol-5-amine,
99584-30-2,
SCHEMBL544019,
ZINC39280728,
AKOS027282708,
1-Phenyl-1H-1,2,3-triazole-5-amine,
Y6535,
Z2418193696,
C8H8N4,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.18g/mol |
| Monoisotopic Mass | 160.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number