Basic information
- CAS
890093-89-7- Standard SMILES
CCOC(=O)c1nnn(-c2nonc2N)c1CC- InChIKey
DJARTFOWJAPNSO-UHFFFAOYSA-N- Molecular formula
- C9H12N6O3
- Average molar mass
- 252.23 g/mol
- Monoisotopic mass
- 252.09708827
Names & identifiers
- Preferred name
- Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-1H-1,2,3-triazole-4-carboxylate
- IUPAC
- ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyltriazole-4-carboxylate
Names & synonyms
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-1H-1,2,3-triazole-4-carboxylate890093-89-7RefChem:341969ethyl 1-(4-amino(1,2,5-oxadiazol-3-yl))-5-ethyl-1,2,3-triazole-4-carboxylateSCHEMBL18169173DJARTFOWJAPNSO-UHFFFAOYSA-NDTXSID601137503MFCD06809682SBB013711STK784784AKOS003654231ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyltriazole-4-carboxylate
Show more names
ST086727CS-0322010ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-triazole-4-carboxylate1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-, ethyl ester
Database identifiers
- CAS
890093-89-7- PubChem CID
- 5200427
- DTXSID
DTXSID601137503
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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