Basic information
- CAS
55649-81-5- Standard SMILES
CN(C)c1ccc(-n2nnc3c(c2=O)C=CCC3)cc1- InChIKey
GFTMTTVASLXXQS-UHFFFAOYSA-N- Molecular formula
- C15H16N4O
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.13241115
Names & identifiers
- Preferred name
- 1,2,3-Benzotriazin-4(3H)-one, 3-[4-(dimethylamino)phenyl]-
- IUPAC
- 3-[4-(dimethylamino)phenyl]-7,8-dihydro-1,2,3-benzotriazin-4-one
- English name
- 3-[4-(Dimethylamino)phenyl]-1,2,3-benzotriazin-4(3H)-one
- Molecular formula
- C15H14N4O
- Molecular weight
- 266.3
Names & synonyms
55649-81-51,2,3-Benzotriazin-4(3H)-one, 3-(4-(dimethylamino)phenyl)-1,2,3-Benzotriazin-4(3H)-one, 3-[4-(dimethylamino)phenyl]-RefChem:214616DTXSID409709953-[4-(Dimethylamino)phenyl]-7,8-dihydro-1,2,3-benzotriazin-4(3H)-one3-[4-(Dimethylamino)phenyl]-1,2,3-benzotriazin-4(3H)-one
Database identifiers
- CAS
55649-81-5- PubChem CID
- 41499
- DTXSID
DTXSID40970995
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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