2H-Benzotriazole,2-[2-(2-pyridinyl)ethyl]-, hydrochloride (1:1)
Basic information
- CAS
16571-65-6- Standard SMILES
Cl.c1ccc(CCn2nc3ccccc3n2)nc1- InChIKey
PBRMCJHNXRYBDQ-UHFFFAOYSA-N- Molecular formula
- C13H13ClN4
- Average molar mass
- 260.72 g/mol
- Monoisotopic mass
- 260.0828741
Names & identifiers
- Preferred name
- 2H-Benzotriazole,2-[2-(2-pyridinyl)ethyl]-, hydrochloride (1:1)
- IUPAC
- 2-(2-pyridin-2-ylethyl)benzotriazole;hydrochloride
Names & synonyms
16571-65-6DTXSID00639778NSC527081NSC-527081DS-0133012-[2-(Pyridin-2-yl)ethyl]-2H-benzotriazole--hydrogen chloride (1/1)2H-BENZOTRIAZOLE,2-[2-(2-PYRIDINYL)ETHYL]-, HYDROCHLORIDE (1:1)2-[2-(Pyridin-2-yl)ethyl]-2H-1,2,3-benzotriazole--hydrogen chloride (1/1)
Database identifiers
- CAS
16571-65-6- PubChem CID
- 24201799
- DTXSID
DTXSID00639778
Properties
Computed structural properties
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…