| CAS Number | 2094918-71-3 |
| Catalog Number | AG01E8BX |
| Chemical Name | 3-(2-aminoethyl)-7-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one dihydrochloride |
| IUPAC Name | 3-(2-aminoethyl)-7-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride |
| InChI | InChI=1S/C8H13N5O.2ClH/c1-12-4-5-13-6(2-3-9)10-11-7(13)8(12)14;;/h2-5,9H2,1H3;2*1H |
| InChI Key | GFIRLYPRRZCIPQ-UHFFFAOYSA-N |
| MDL Number | MFCD31381262 |
| Molecular Formula | C8H15Cl2N5O |
| Molecular Weight | 268.1436 |
| SMILES | Cl.Cl.CN1C(=O)C2N(C(=NN=2)CCN)CC1 |
| Synonyms | 2094918-71-3,
3-(2-Aminoethyl)-7-methyl-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one dihydrochloride,
AKOS034035479,
Z2798559906,
3-(2-aminoethyl)-7-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one dihydrochloride,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.142g/mol |
| Monoisotopic Mass | 267.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number