3-(Difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine Dihydrochloride - CAS 1803600-63-6
Catalog: |
BB066543 |
Product Name: |
3-(Difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine Dihydrochloride |
CAS: |
1803600-63-6 |
Synonyms: |
3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride; 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine; dihydrochloride; 3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazinedihydrochloride |
IUPAC Name: | 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazinedihydrochloride |
Description: | 3-(Difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine Dihydrochloride is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 174.15 +2(36.46) |
Molecular Formula: | C6H8N4F2·2(HCl) |
Canonical SMILES: | C1CN2C(=NN=C2C(F)F)CN1.Cl.Cl |
InChI: | InChI=1S/C6H8F2N4.2ClH/c7-5(8)6-11-10-4-3-9-1-2-12(4)6/h5,9H,1-3H22*1H |
InChI Key: | PTPDODCKENBEPW-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.025058 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.025058 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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