Basic information
- CAS
6954-15-0- Standard SMILES
CN(C)c1ccc(C(=NNc2cn[nH]c(=O)c2Cl)c2ccc(N(C)C)cc2)cc1- InChIKey
HEJHLLZNNDMCKQ-UHFFFAOYSA-N- Molecular formula
- C21H23ClN6O
- Average molar mass
- 410.9 g/mol
- Monoisotopic mass
- 410.1621871
Names & identifiers
- Preferred name
- 5-(2-{Bis[4-(dimethylamino)phenyl]methylidene}hydrazinyl)-4-chloropyridazin-3(2h)-one
- IUPAC
- 4-[2-[bis[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
Names & synonyms
6954-15-05-(2-(Bis(4-(dimethylamino)phenyl)methylene)hydrazinyl)-4-chloropyridazin-3(2H)-oneNSC690615-(2-{bis[4-(dimethylamino)phenyl]methylidene}hydrazinyl)-4-chloropyridazin-3(2h)-oneDTXSID60290506NSC-690615-(2-{Bis[4-(dimethylamino)phenyl]methylidene}hydrazin-1-yl)-4-chloropyridazin-3(2H)-one
Database identifiers
- CAS
6954-15-0- PubChem CID
- 250073
- DTXSID
DTXSID60290506
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 641
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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