5-butyl-2-(2H-tetrazol-5-yl)pyridine
Basic information
- CAS
39256-39-8- Standard SMILES
CCCCc1ccc(-c2nn[nH]n2)nc1- InChIKey
MLSHGCUPTROGPK-UHFFFAOYSA-N- Molecular formula
- C10H13N5
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.11709544
Names & identifiers
- Preferred name
- 5-butyl-2-(2H-tetrazol-5-yl)pyridine
- IUPAC
- 5-butyl-2-(2H-tetrazol-5-yl)pyridine
Names & synonyms
5-butyl-2-(2H-tetrazol-5-yl)pyridineMLS00311556939256-39-8NSC286274CHEMBL2139700DTXSID70314585NSC-286274SMR001831142DS-005674
Database identifiers
- CAS
39256-39-8- PubChem CID
- 323702
- DTXSID
DTXSID70314585- ChEMBL
CHEMBL2139700
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 187
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Compound notes
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