| CAS Number | 21532-00-3 |
| Catalog Number | AG00J8AM(AGN-PC-3H4EBI) |
| Chemical Name | 1,1'-(4-Amino-4H-1,2,4-triazole-3,5-diyl)bis(ethan-1-ol) |
| IUPAC Name | 1-[4-amino-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]ethanol |
| InChI | InChI=1S/C6H12N4O2/c1-3(11)5-8-9-6(4(2)12)10(5)7/h3-4,11-12H,7H2,1-2H3 |
| InChI Key | JOXDXBMIJJFJMN-UHFFFAOYSA-N |
| MDL Number | MFCD01924349 |
| Molecular Formula | C6H12N4O2 |
| Molecular Weight | 172.1851 |
| SMILES | NN1C(=NN=C1C(C)O)C(C)O |
| Synonyms | 1-[4-amino-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]ethanol,
1-[4-Amino-5-(1-hydroxyethyl)-4H-1,2,4-triazol-3-yl]ethan-1-ol,
21532-00-3,
AC1N95L3,
SCHEMBL1204818,
STL433328,
AKOS006278248,
1,1'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diethanol,
CID4355354,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.188g/mol |
| Monoisotopic Mass | 172.096g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 97.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number