| CAS Number | 1016701-37-3 |
| Catalog Number | AG01BCUE |
| Chemical Name | 5-(1-Benzofuran-2-yl)-4H-1,2,4-triazol-3-amine |
| IUPAC Name | 5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-amine |
| InChI | InChI=1S/C10H8N4O/c11-10-12-9(13-14-10)8-5-6-3-1-2-4-7(6)15-8/h1-5H,(H3,11,12,13,14) |
| InChI Key | YDKHZCRYLLPPEJ-UHFFFAOYSA-N |
| MDL Number | MFCD09927721 |
| Molecular Formula | C10H8N4O |
| Molecular Weight | 200.1967 |
| SMILES | NC1NC(C2OC3=C(C=CC=C3)C=2)=NN=1 |
| Synonyms | 5-(1-benzofuran-2-yl)-4H-1,2,4-triazol-3-amine,
1016701-37-3,
ZINC19422656,
AKOS000168061,
AKOS030756119,
MCULE-3676665803,
NE24370,
3-(1-benzofuran-2-yl)-1H-1,2,4-triazol-5-amine,
Z1869802251,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.201g/mol |
| Monoisotopic Mass | 200.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number