N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide
Basic information
- CAS
77976-42-2- Standard SMILES
NC(=O)C(=O)NCc1nnn(Cc2ccccc2)c1N- InChIKey
UAJLHQQQVYPAQA-UHFFFAOYSA-N- Molecular formula
- C12H14N6O2
- Average molar mass
- 274.28 g/mol
- Monoisotopic mass
- 274.11782371
Names & identifiers
- Preferred name
- N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide
- IUPAC
- N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamide
Names & synonyms
77976-42-2N'-[(5-amino-1-benzyltriazol-4-yl)methyl]oxamideNSC336368DTXSID20318811NSC-336368DS-006218Acetamide,2,3-triazol-4-yl]methyl]amino)-2-oxo-N~1~-[(5-Amino-1-benzyl-1H-1,2,3-triazol-4-yl)methyl]ethanediamideAcetamide, 2-[[ (5-amino-1-phenylmethyl)-1H-1,2, 3-triazol-4-yl]methyl]amino)-2-oxo-
Database identifiers
- CAS
77976-42-2- PubChem CID
- 333650
- DTXSID
DTXSID20318811
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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