N-[1-benzyl-5-(2H-tetrazol-5-yl)imidazol-4-yl]formamide
Basic information
- CAS
13015-29-7- Standard SMILES
O=CNc1ncn(Cc2ccccc2)c1-c1nn[nH]n1- InChIKey
BPVWHCXKAUFROM-UHFFFAOYSA-N- Molecular formula
- C12H11N7O
- Average molar mass
- 269.26 g/mol
- Monoisotopic mass
- 269.102508
Names & identifiers
- Preferred name
- N-[1-benzyl-5-(2H-tetrazol-5-yl)imidazol-4-yl]formamide
- IUPAC
- N-[1-benzyl-5-(2H-tetrazol-5-yl)imidazol-4-yl]formamide
Names & synonyms
13015-29-7NSC88699DTXSID20926617NSC-88699[1-Benzyl-5-(2H-tetrazol-5-yl)-1H-imidazol-4-yl]methanimidic acid
Database identifiers
- CAS
13015-29-7- PubChem CID
- 259116
- DTXSID
DTXSID20926617
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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