2-Amino-5-(trifluoromethyl)-1,3,4-oxadiazole - CAS 768-29-6
Catalog: |
BB035711 |
Product Name: |
2-Amino-5-(trifluoromethyl)-1,3,4-oxadiazole |
CAS: |
768-29-6 |
Synonyms: |
5-(trifluoromethyl)-1,3,4-oxadiazol-2-amine |
IUPAC Name: | 5-(trifluoromethyl)-1,3,4-oxadiazol-2-amine |
Description: | 2-Amino-5-(trifluoromethyl)-1,3,4-oxadiazole (CAS# 768-29-6) is used to prepare derivatives that possess activity as muscle relaxants and antituberculars. |
Molecular Weight: | 153.06 |
Molecular Formula: | C3H2F3N3O |
Canonical SMILES: | C1(=NN=C(O1)N)C(F)(F)F |
InChI: | InChI=1S/C3H2F3N3O/c4-3(5,6)1-8-9-2(7)10-1/h(H2,7,9) |
InChI Key: | VMBAPDLMDFSJBH-UHFFFAOYSA-N |
Boiling Point: | 145.3 °C at 760 mmHg |
Density: | 1.62 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08062581 |
LogP: | 1.25180 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-10653681-B2 | Analgesic compounds | 20160316 |
US-2019111031-A1 | Analgesic compounds | 20160316 |
CA-2959757-A1 | Pyrazole derivatives as sgc stimulators | 20140917 |
JP-2017528494-A | sGC stimulant | 20140917 |
JP-6624616-B2 | sGC stimulant | 20140917 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.01499618 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.01499618 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 64.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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