4-[(1E)-3-Methoxy-3-methyltriaz-1-en-1-yl]benzamide
Basic information
- CAS
66974-76-3- Standard SMILES
CON(C)N=Nc1ccc(C(N)=O)cc1- InChIKey
SPSLUUKCFZCZHI-UHFFFAOYSA-N- Molecular formula
- C9H12N4O2
- Average molar mass
- 208.22 g/mol
- Monoisotopic mass
- 208.09602564
Names & identifiers
- Preferred name
- 4-[(1E)-3-Methoxy-3-methyltriaz-1-en-1-yl]benzamide
- IUPAC
- 4-[[methoxy(methyl)amino]diazenyl]benzamide
Names & synonyms
66974-76-3NSC279831CHEMBL1717784-[(1E)-3-Methoxy-3-methyltriaz-1-en-1-yl]benzamideDTXSID40314012NSC-2798314-(Methoxy-methyl-amino)diazenylbenzamideDS-005106
Database identifiers
- CAS
66974-76-3- PubChem CID
- 322401
- DTXSID
DTXSID40314012- ChEMBL
CHEMBL171778- Nikkaji
- J1.586.166E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 236
Experimental & physicochemical properties
LogP1.19
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Compound notes
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