Basic information
- CAS
16050-65-0- Standard SMILES
CCn1c(=O)[nH][nH]c1=O- InChIKey
FTLPCUOUNXWZMN-UHFFFAOYSA-N- Molecular formula
- C4H7N3O2
- Average molar mass
- 129.12 g/mol
- Monoisotopic mass
- 129.05382648
Names & identifiers
- Preferred name
- 4-Ethyl-1,2,4-triazolidine-3,5-dione
- IUPAC
- 4-ethyl-1,2,4-triazolidine-3,5-dione
- English name
- 4-ethyl-1,2,4-triazolidine-3,5-dione
- Molecular formula
- C4H7N3O2
- Molecular weight
- 129.12
Names & synonyms
4-Ethyl-1,2,4-triazolidine-3,5-dione16050-65-0EINECS 240-195-14-EthylurazoleSCHEMBL8857844DTXSID00166897NS000252281,2,4-Triazolidine-3,5-dione, 4-ethyl-4-Ethyl-1H-1,2,4-triazole-3,5(2H,4H)-dione
Database identifiers
- CAS
16050-65-0- PubChem CID
- 85253
- DTXSID
DTXSID00166897- EC Number
- 240-195-1
- Nikkaji
- J219.950E
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 195 · 195-196 °C
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- pka
- 5.56 · 5.56±0.30(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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