Basic information
- CAS
39942-91-1- Standard SMILES
CN(Cc1ccccc1)N=Nc1nc[nH]c1C(N)=O- InChIKey
BVEKLRFEXUUIHL-UHFFFAOYSA-N- Molecular formula
- C12H14N6O
- Average molar mass
- 258.28 g/mol
- Monoisotopic mass
- 258.12290909
Names & identifiers
- Preferred name
- 5-(3-benzyl-3-methyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide
- IUPAC
- 4-[[benzyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide
Names & synonyms
MLS00338940939942-91-1NCIOpen2_004518CHEMBL2360326Imidazole-4(or 5)-carboxamide, 5(or 4)-(3-benzyl-3-methyl-1-triazeno)-DTXSID00421211SMR0020490625-(3-benzyl-3-methyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide5-[3-Methyl-3-(phenylmethyl)-1-triazen-1-yl]-1H-imidazole-4-carboxamide
Database identifiers
- CAS
39942-91-1- PubChem CID
- 256646
- DTXSID
DTXSID00421211- ChEMBL
CHEMBL2360326
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Experimental & physicochemical properties
LogP1.54
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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