3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-bis(oxiranylmethyl)-5-(1-methylethyl)-
Basic information
- CAS
160455-70-9- Standard SMILES
CC(C)c1nn(CC2CO2)c(=O)n1CC1CO1- InChIKey
NCUJZPXJVIWNMT-UHFFFAOYSA-N- Molecular formula
- C11H17N3O3
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.12699141
Names & identifiers
- Preferred name
- 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-bis(oxiranylmethyl)-5-(1-methylethyl)-
- IUPAC
- 2,4-bis(oxiran-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-one
- English name
- 2,4-bis(oxiran-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-one
- Molecular formula
- C11H17N3O3
- Molecular weight
- 239.27
Names & synonyms
160455-70-92,4-Dihydro-2,4-bis(oxiranylmethyl)-5-(1-methylethyl)-3H-1,2,4-triazol-3-one3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-bis(oxiranylmethyl)-5-(1-methylethyl)-RefChem:2829072,4-bis(oxiran-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-oneDTXSID209362962,4-Bis[(oxiran-2-yl)methyl]-5-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1-methylethyl)-2,4-bis(2-oxiranylmethyl)-
Database identifiers
- CAS
160455-70-9- PubChem CID
- 3074633
- DTXSID
DTXSID20936296- Nikkaji
- J543.904C
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Boiling point
- 339 · 339.0±38.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 5.59 · 5.59±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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