Ethyl 1,4-dimethyl-1H-1,2,3-triazole-5-carboxylate
Basic information
- CAS
1393561-26-6- Standard SMILES
CCOC(=O)c1c(C)nnn1C- InChIKey
ZNTZZNGXCVWWGW-UHFFFAOYSA-N- Molecular formula
- C7H11N3O2
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.0851266
Names & identifiers
- Preferred name
- Ethyl 1,4-dimethyl-1H-1,2,3-triazole-5-carboxylate
- IUPAC
- ethyl 3,5-dimethyltriazole-4-carboxylate
Names & synonyms
ETHYL 1,4-DIMETHYL-1H-1,2,3-TRIAZOLE-5-CARBOXYLATE1393561-26-6SCHEMBL9881658DTXSID101173479TFC56126AB85054ethyl 3,5-dimethyltriazole-4-carboxylateDB-198199EN300-746987Ethyl 3,5-dimethyl-3h-1,2,3-triazole-4-carboxylateETHYL1,4-DIMETHYL-1H-1,2,3-TRIAZOLE-5-CARBOXYLATE1H-1,2,3-Triazole-5-carboxylic acid, 1,4-dimethyl-, ethyl ester
Database identifiers
- CAS
1393561-26-6- PubChem CID
- 23397409
- DTXSID
DTXSID101173479
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…