3-Propyl-1,2,3,4-oxatriazolidin-5-imine
Basic information
- CAS
11069-24-2- Standard SMILES
CCCN1N=C(N)ON1- InChIKey
OULFQQLGERZMBX-UHFFFAOYSA-N- Molecular formula
- C4H10N4O
- Average molar mass
- 130.15 g/mol
- Monoisotopic mass
- 130.08546096
Names & identifiers
- Preferred name
- 3-Propyl-1,2,3,4-oxatriazolidin-5-imine
- IUPAC
- 3-propyl-2H-oxatriazol-5-amine
Names & synonyms
3-Propyl-1,2,3,4-oxatriazolidin-5-imine11069-24-2NSC 2705313-propyloxatriazolidin-5-imineDTXSID701493593-Propyl-2,3-dihydro-1,2,3,4-oxatriazol-5-amine
Database identifiers
- CAS
11069-24-2- PubChem CID
- 494199
- DTXSID
DTXSID70149359
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 124
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Compound notes
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