3-(diethylamino)-6-(1H-1,2,4-triazol-5-ylhydrazinylidene)cyclohexa-2,4-dien-1-one
Basic information
- CAS
219703-07-8- Standard SMILES
CCN(CC)c1ccc(N=Nc2ncn[nH]2)c(O)c1- InChIKey
SJMIGTIGCFRHSP-UHFFFAOYSA-N- Molecular formula
- C12H16N6O
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.13855916
Names & identifiers
- Preferred name
- 3-(diethylamino)-6-(1H-1,2,4-triazol-5-ylhydrazinylidene)cyclohexa-2,4-dien-1-one
- IUPAC
- 5-(diethylamino)-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol
Names & synonyms
NSC2314213-(diethylamino)-6-(1H-1,2,4-triazol-5-ylhydrazinylidene)cyclohexa-2,4-dien-1-one219703-07-8DTXSID20418345NSC-2314213-(Diethylamino)-6-[2-(1H-1,2,4-triazol-5-yl)hydrazinylidene]cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
219703-07-8- PubChem CID
- 314174
- DTXSID
DTXSID20418345
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…