Basic information
- CAS
10553-42-1- Standard SMILES
Nc1ncn(Cc2ccccc2)c1-c1nn[nH]n1- InChIKey
PKFYHNTYNHGEBF-UHFFFAOYSA-N- Molecular formula
- C11H11N7
- Average molar mass
- 241.25 g/mol
- Monoisotopic mass
- 241.10759338
Names & identifiers
- Preferred name
- 1-Benzyl-5-(2h-tetrazol-5-yl)-1h-imidazol-4-amine
- IUPAC
- 1-benzyl-5-(2H-tetrazol-5-yl)imidazol-4-amine
Names & synonyms
10553-42-1NSC886981-benzyl-5-(2h-tetrazol-5-yl)-1h-imidazol-4-amineDTXSID90293328NSC-88698
Database identifiers
- CAS
10553-42-1- PubChem CID
- 259115
- DTXSID
DTXSID90293328
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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