| CAS Number | 2094118-27-9 |
| Catalog Number | AG01E8BN |
| Chemical Name | 3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid dihydrochloride |
| IUPAC Name | 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid;dihydrochloride |
| InChI | InChI=1S/C7H10N4O2.2ClH/c1-4-9-10-6-2-8-5(7(12)13)3-11(4)6;;/h5,8H,2-3H2,1H3,(H,12,13);2*1H |
| InChI Key | WPCOXCMCNAYWGO-UHFFFAOYSA-N |
| MDL Number | MFCD30734030 |
| Molecular Formula | C7H12Cl2N4O2 |
| Molecular Weight | 255.1018 |
| SMILES | Cl.Cl.CC1N2C(CNC(C(O)=O)C2)=NN=1 |
| Synonyms | 3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid dihydrochloride,
Z2805877160,
2094118-27-9,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.099g/mol |
| Monoisotopic Mass | 254.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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