2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile
Basic information
- CAS
66974-62-7- Standard SMILES
CN(CCO)N=Nc1ccccc1C#N- InChIKey
NYZRMBJPWDMMMO-UHFFFAOYSA-N- Molecular formula
- C10H12N4O
- Average molar mass
- 204.23 g/mol
- Monoisotopic mass
- 204.10111102
Names & identifiers
- Preferred name
- 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile
- IUPAC
- 2-[[2-hydroxyethyl(methyl)amino]diazenyl]benzonitrile
Names & synonyms
66974-62-7NSC180041CHEMBL3250819DTXSID303068202-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrileNSC-180041
Database identifiers
- CAS
66974-62-7- PubChem CID
- 301787
- DTXSID
DTXSID30306820- ChEMBL
CHEMBL3250819
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
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Compound notes
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