Basic information
- CAS
26259-73-4- Standard SMILES
Nc1ccc(-n2nnc3ccccc32)nc1- InChIKey
CCXDPHXXUFCXLX-UHFFFAOYSA-N- Molecular formula
- C11H9N5
- Average molar mass
- 211.22 g/mol
- Monoisotopic mass
- 211.08579531
Names & identifiers
- Preferred name
- 6-(1H-Benzotriazol-1-yl)-3-pyridinamine
- IUPAC
- 6-(benzotriazol-1-yl)pyridin-3-amine
Names & synonyms
DTXSID20128097826259-73-46-(1H-Benzotriazol-1-yl)-3-pyridinamine6-(1H-Benzotriazol-1-yl)pyridin-3-amine
Database identifiers
- CAS
26259-73-4- PubChem CID
- 29082003
- DTXSID
DTXSID201280978
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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