1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-
Completing data — refresh the page later to see the latest
Basic information
- CAS
98518-95-7- Standard SMILES
c1ccc2oc(C3(Cn4cncn4)OCCCO3)cc2c1- InChIKey
QONLNYKQICMQRS-UHFFFAOYSA-N- Molecular formula
- C15H15N3O3
- Average molar mass
- 285.3 g/mol
- Monoisotopic mass
- 285.11134135
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-
- IUPAC
- 1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole
- English name
- 1-[(2-benzofuran-2-yl-1,3-dioxan-2-yl)methyl]-1,2,4-triazole
- Molecular formula
- C15H15N3O3
- Molecular weight
- 0
Names & synonyms
98518-95-71H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1-((2-(2-Benzofuranyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazoleRefChem:236974SCHEMBL11007172DTXSID109132181-{[2-(1-Benzofuran-2-yl)-1,3-dioxan-2-yl]methyl}-1H-1,2,4-triazole1-[(2-benzofuran-2-yl-1,3-dioxan-2-yl)methyl]-1,2,4-triazole
Database identifiers
- CAS
98518-95-7- PubChem CID
- 3062579
- DTXSID
DTXSID10913218
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…