| CAS Number | 2094611-77-3 |
| Catalog Number | AG01E7XP |
| Chemical Name | 3-(2-Aminoethyl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one dihydrochloride |
| IUPAC Name | 3-(2-aminoethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride |
| InChI | InChI=1S/C7H11N5O.2ClH/c8-2-1-5-10-11-6-7(13)9-3-4-12(5)6;;/h1-4,8H2,(H,9,13);2*1H |
| InChI Key | QPJCHMVNHBYFQA-UHFFFAOYSA-N |
| MDL Number | MFCD30734368 |
| Molecular Formula | C7H13Cl2N5O |
| Molecular Weight | 254.1170 |
| SMILES | O=C1C2=NN=C(CCN)N2CCN1.[H]Cl.[H]Cl |
| Synonyms | 3-(2-Aminoethyl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one dihydrochloride,
2094611-77-3,
AKOS034045796,
Z2830975965,
3-(2-aminoethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one dihydrochloride,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.115g/mol |
| Monoisotopic Mass | 253.05g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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