ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate
Basic information
- CAS
13581-64-1- Standard SMILES
CCOC(=O)C(=O)Nc1ncn[nH]1- InChIKey
QWRCBKZTRVMCCC-UHFFFAOYSA-N- Molecular formula
- C6H8N4O3
- Average molar mass
- 184.15 g/mol
- Monoisotopic mass
- 184.05964013
Names & identifiers
- Preferred name
- ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate
- IUPAC
- ethyl 2-oxo-2-(1H-1,2,4-triazol-5-ylamino)acetate
Names & synonyms
13581-64-1Ethyl 2-((1H-1,2,4-triazol-5-yl)amino)-2-oxoacetateethyl 2H-1,2,4-triazol-3-ylcarbamoylformateNSC177949DTXSID50306620NSC-177949DS-011000Ethyl oxo[(1H-1,2,4-triazol-5-yl)amino]acetate
Database identifiers
- CAS
13581-64-1- PubChem CID
- 301326
- DTXSID
DTXSID50306620
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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