| CAS Number | 1674389-85-5 |
| Catalog Number | AG01C0C1 |
| Chemical Name | 3-(1-amino-2-phenylethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride |
| IUPAC Name | 3-(1-amino-2-phenylethyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride |
| InChI | InChI=1S/C10H12N4O.ClH/c11-8(9-12-10(15)14-13-9)6-7-4-2-1-3-5-7;/h1-5,8H,6,11H2,(H2,12,13,14,15);1H |
| InChI Key | FGPALAXHXMVRHS-UHFFFAOYSA-N |
| MDL Number | MFCD28400961 |
| Molecular Formula | C10H13ClN4O |
| Molecular Weight | 240.6894 |
| SMILES | Cl.NC(C1NC(=O)NN=1)CC1=CC=CC=C1 |
| Synonyms | 1674389-85-5,
AKOS030504923,
3-(1-amino-2-phenylethyl)-1H-1,2,4-triazol-5(4H)-one hydrochloride,
3-(1-Amino-2-phenylethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.691g/mol |
| Monoisotopic Mass | 240.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number