Methyl 3,5-dioxo-1,2,4-triazolidine-4-acetate
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Basic information
- Standard SMILES
COC(=O)Cn1c(=O)[nH][nH]c1=O- InChIKey
DHCIJHZATMGOQI-UHFFFAOYSA-N- Molecular formula
- C5H7N3O4
- Average molar mass
- 173.13 g/mol
- Monoisotopic mass
- 173.04365571
Names & identifiers
- Preferred name
- Methyl 3,5-dioxo-1,2,4-triazolidine-4-acetate
- IUPAC
- methyl 2-(3,5-dioxo-1,2,4-triazolidin-4-yl)acetate
Names & synonyms
SCHEMBL7340852DHCIJHZATMGOQI-UHFFFAOYSA-Nmethyl 3,5-dioxo-1,2,4-triazolidine-4-acetate
Database identifiers
- PubChem CID
- 53759869
Properties
Computed structural propertiesFilling in
- XLogP
- -0.9
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 223
Related reactions
3 records
Compound notes
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