3-(Difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine - CAS 945262-35-1
Catalog: |
BB063180 |
Product Name: |
3-(Difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine |
CAS: |
945262-35-1 |
Synonyms: |
3-(Difluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine |
IUPAC Name: | 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine |
Description: | 3-(Difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine is a useful building block for the preparation of biologically active small molecules. |
Molecular Weight: | 174.15 |
Molecular Formula: | C6H8N4F2 |
Canonical SMILES: | C1CN2C(=NN=C2C(F)F)CN1 |
InChI: | InChI=1S/C6H8F2N4/c7-5(8)6-11-10-4-3-9-1-2-12(4)6/h5,9H,1-3H2 |
InChI Key: | OPBRLKOINULLLT-UHFFFAOYSA-N |
References: | Kim, D., et al. Bioorg. Med. Chem. Lett., 17, 3373 (2007), Velagapudi, U. K., et al. J. Med. Chem., 62, 5330 (2019). |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.0717026 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.0717026 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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