2-[5-(Pyridin-3-yl)-2H-tetrazol-2-yl]butanoic acid
Basic information
- CAS
436096-43-4- Standard SMILES
CCC(C(=O)O)n1nnc(-c2cccnc2)n1- InChIKey
RJSBKUFOPWAPIO-UHFFFAOYSA-N- Molecular formula
- C10H11N5O2
- Average molar mass
- 233.23 g/mol
- Monoisotopic mass
- 233.09127461
Names & identifiers
- Preferred name
- 2-[5-(Pyridin-3-yl)-2H-tetrazol-2-yl]butanoic acid
- IUPAC
- 2-(5-pyridin-3-yltetrazol-2-yl)butanoic acid
Names & synonyms
DTXSID601227863436096-43-42-[5-(Pyridin-3-yl)-2H-tetrazol-2-yl]butanoic acidI+/--Ethyl-5-(3-pyridinyl)-2H-tetrazole-2-acetic acid
Database identifiers
- CAS
436096-43-4- PubChem CID
- 4713628
- DTXSID
DTXSID601227863
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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