Basic information
- CAS
6089-70-9- Standard SMILES
Nc1nncn1C(=O)COc1ccccc1- InChIKey
AUSMUQZABCQINZ-UHFFFAOYSA-N- Molecular formula
- C10H10N4O2
- Average molar mass
- 218.21 g/mol
- Monoisotopic mass
- 218.08037557
Names & identifiers
- Preferred name
- 1-(3-Amino-1,2,4-triazol-4-yl)-2-phenoxyethanone
- IUPAC
- 1-(3-amino-1,2,4-triazol-4-yl)-2-phenoxyethanone
Names & synonyms
6089-70-94-(phenoxyacetyl)-4H-1,2,4-triazol-3-amineCBMicro_009124Cambridge id 6089709Oprea1_6433491-(3-amino-1,2,4-triazol-4-yl)-2-phenoxyethanoneDTXSID10976368SMSF0013756BIM-0009106.P001SR-01000227261SR-01000227261-11-(5-Imino-1,5-dihydro-4H-1,2,4-triazol-4-yl)-2-phenoxyethan-1-one
Database identifiers
- CAS
6089-70-9- PubChem CID
- 879433
- DTXSID
DTXSID10976368
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…