Basic information
- CAS
76357-73-8- Standard SMILES
COC(=O)n1nc(C)c(N(C)C)n1- InChIKey
CELVLAIYHVNXNM-UHFFFAOYSA-N- Molecular formula
- C7H12N4O2
- Average molar mass
- 184.2 g/mol
- Monoisotopic mass
- 184.09602564
Names & identifiers
- Preferred name
- Methyl 4-(dimethylamino)-5-methyl-2H-1,2,3-triazole-2-carboxylate
- IUPAC
- methyl 4-(dimethylamino)-5-methyltriazole-2-carboxylate
Names & synonyms
76357-73-8NSC351975DTXSID00319942Methyl 4-(dimethylamino)-5-methyl-2H-1,2,3-triazole-2-carboxylateNSC-351975
Database identifiers
- CAS
76357-73-8- PubChem CID
- 336771
- DTXSID
DTXSID00319942
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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