5,6,7,8-Tetrahydro[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride - CAS 1429056-45-0
Catalog: |
BB054533 |
Product Name: |
5,6,7,8-Tetrahydro[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride |
CAS: |
1429056-45-0 |
Synonyms: |
5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride |
Related CAS: | 345311-09-3 (free base)
|
IUPAC Name: | 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride |
Molecular Weight: | 197.06 |
Molecular Formula: | C5H10Cl2N4 |
Canonical SMILES: | C1CN2C=NN=C2CN1.Cl.Cl |
InChI: | InChI=1S/C5H8N4.2ClH/c1-2-9-4-7-8-5(9)3-6-1;;/h4,6H,1-3H2;2*1H |
InChI Key: | AUQOBLTVALDIRP-UHFFFAOYSA-N |
Purity: | 97% |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.0282517 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.0282517 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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