Basic information
- CAS
312277-79-5- Standard SMILES
CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCCC(C(=O)OCC)C1- InChIKey
XDWORRVVGZJWQT-UHFFFAOYSA-N- Molecular formula
- C16H23N7O5
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.17606686
Names & identifiers
- Preferred name
- Ethyl 1-((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl)methyl)-3-piperidinecarboxylate
- IUPAC
- ethyl 1-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethoxycarbonyltriazol-4-yl]methyl]piperidine-3-carboxylate
Names & synonyms
312277-79-5Ethyl 1-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]methyl]-3-piperidinecarboxylateEthyl 1-((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl)methyl)-3-piperidinecarboxylateethyl 1-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]methyl}-3-piperidinecarboxylateRefChem:341936ethyl 1-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethoxycarbonyltriazol-4-yl]methyl]piperidine-3-carboxylateethyl 1-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]methyl}piperidine-3-carboxylateOprea1_516750XDWORRVVGZJWQT-UHFFFAOYSA-NDTXSID501106509SBB002021STK757679
Show more names
AKOS001703851AKOS016347399ST4037096SR-01000519237SR-01000519237-11-[3-(4-Amino-furazan-3-yl)-5-ethoxycarbonyl-3H-[1,2,3]triazol-4-ylmethyl]-piperidine-3-carboxylic acid ethyl esterethyl 1-{[1-(4-amino(1,2,5-oxadiazol-3-yl))-4-(ethoxycarbonyl)-1,2,3-triazol-5 -yl]methyl}piperidine-3-carboxylate
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…