3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-
Basic information
- CAS
108132-91-8- Standard SMILES
CCn1c(-c2ccc3c(c2)OCO3)n[nH]c1=O- InChIKey
MTTOIYLOOURSTB-UHFFFAOYSA-N- Molecular formula
- C11H11N3O3
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.08004122
Names & identifiers
- Preferred name
- 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-
- IUPAC
- 3-(1,3-benzodioxol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one
- English name
- 2,4-Dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-3H-1,2,4-triazol-3-one
- Molecular formula
- C11H11N3O3
- Molecular weight
- 0
Names & synonyms
108132-91-8BRN 59632923H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-2,4-Dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-3H-1,2,4-triazol-3-oneDTXSID00148431RefChem:282922DTXCID20709223-(Benzo[d][1,3]dioxol-5-yl)-4-ethyl-1H-1,2,4-triazol-5(4H)-one5-(2H-1,3-Benzodioxol-5-yl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-oneReaxys ID: 5963292
Database identifiers
- CAS
108132-91-8- PubChem CID
- 3065484
- DTXSID
DTXSID00148431
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…