5-(Azetidin-3-yl)-3-methyl-1,2,4-oxadiazole Hydrochloride - CAS 1185303-98-3
Catalog: |
BB055151 |
Product Name: |
5-(Azetidin-3-yl)-3-methyl-1,2,4-oxadiazole Hydrochloride |
CAS: |
1185303-98-3 |
Synonyms: |
5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole hydrochloride; 5-(Azetidin-3-yl)-3-methyl-1,2,4-oxadiazole HCl; 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole; hydrochloride; 5-Azetidin-3-yl-3-methyl-[1,2,4]oxadiazole hydrochloride; 5-Azetidin-3-yl-3-methyl-[1,2,4]oxadiazolehydrochloride; 5-azetidin-3-yl-3-methyl-1,2,4-oxadiazole hydrochloride |
IUPAC Name: | 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazolehydrochloride |
Molecular Weight: | 175.61 |
Molecular Formula: | C6H9N3O·HCl |
Canonical SMILES: | CC1=NOC(=N1)C2CNC2.Cl |
InChI: | InChI=1S/C6H9N3O.ClH/c1-4-8-6(10-9-4)5-2-7-3-5/h5,7H,2-3H2,1H31H |
InChI Key: | XSXSNQPOWQLACE-UHFFFAOYSA-N |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3604305-A1 | Novel pyridone carboxylic acid derivative or salt thereof | 20170324 |
JP-WO2018174266-A1 | Novel pyridonecarboxylic acid derivative or salt thereof | 20170324 |
US-2020062752-A1 | Novel pyridone carboxylic acid derivative or salt thereof | 20170324 |
WO-2018174266-A1 | Novel pyridone carboxylic acid derivative or salt thereof | 20170324 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.0512396 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.0512396 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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