Basic information
- CAS
108132-89-4- Standard SMILES
CCOc1c(OC)cc(-c2n[nH]c(=O)n2C)cc1OC- InChIKey
RKWDICWQTLBQNN-UHFFFAOYSA-N- Molecular formula
- C13H17N3O4
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.12190603
Names & identifiers
- Preferred name
- 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-ethoxy-3,5-dimethoxyphenyl)-4-methyl-
- IUPAC
- 3-(4-ethoxy-3,5-dimethoxyphenyl)-4-methyl-1H-1,2,4-triazol-5-one
Names & synonyms
BRN 59837853H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-ethoxy-3,5-dimethoxyphenyl)-4-methyl-108132-89-4DTXSID301484292,4-Dihydro-5-(4-ethoxy-3,5-dimethoxyphenyl)-4-methyl-3H-1,2,4-triazol-3-oneRefChem:282935DTXCID20709205-(4-Ethoxy-3,5-dimethoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Database identifiers
- CAS
108132-89-4- PubChem CID
- 3065482
- DTXSID
DTXSID30148429
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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