2-(1h-1,2,4-Triazol-5-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione
Basic information
- CAS
19691-96-4- Standard SMILES
O=C1C2C3CCC(O3)C2C(=O)N1c1ncn[nH]1- InChIKey
ZDXFUBJJRSBXTC-UHFFFAOYSA-N- Molecular formula
- C10H10N4O3
- Average molar mass
- 234.21 g/mol
- Monoisotopic mass
- 234.07529019
Names & identifiers
- Preferred name
- 2-(1h-1,2,4-Triazol-5-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione
- IUPAC
- 2-(1H-1,2,4-triazol-5-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Names & synonyms
2-(1h-1,2,4-triazol-5-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione19691-96-42-(1H-1,2,4-triazol-5-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dioneNSC80814DTXSID00292206NSC-80814
Database identifiers
- CAS
19691-96-4- PubChem CID
- 255368
- DTXSID
DTXSID00292206
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 373
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Compound notes
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