| CAS Number | 1193389-09-1 |
| Catalog Number | AG019WEP(AGN-PC-0WOSKE) |
| Chemical Name | 2-(2-aminoethyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one hydrochloride |
| IUPAC Name | 2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride |
| InChI | InChI=1S/C8H10N4O.ClH/c9-4-6-12-8(13)11-5-2-1-3-7(11)10-12;/h1-3,5H,4,6,9H2;1H |
| InChI Key | FOFMURBNHUJIBG-UHFFFAOYSA-N |
| MDL Number | MFCD12913003 |
| Molecular Formula | C8H11ClN4O |
| Molecular Weight | 214.6521 |
| SMILES | Cl.NCCN1C(=O)N2C(C=CC=C2)=N1 |
| Synonyms | 1193389-09-1,
2-(2-aminoethyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one hydrochloride,
2-(2-Aminoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride,
2-(2-aminoethyl)-2H,3H-[1,2,4]triazolo[3,4-a]pyridin-3-one hydrochloride,
AC1Q3DDD,
AKOS026742515,
MCULE-6498542677,
NE59729,
EN300-51704,
Z744754778,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.653g/mol |
| Monoisotopic Mass | 214.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number