1H-Tetrazole-1-propanoic acid, 5-(3-pyridinyl)-
Basic information
- CAS
1266867-76-8- Standard SMILES
O=C(O)CCn1nnnc1-c1cccnc1- InChIKey
NRBFKPSIUYWKLL-UHFFFAOYSA-N- Molecular formula
- C9H9N5O2
- Average molar mass
- 219.2 g/mol
- Monoisotopic mass
- 219.07562455
Names & identifiers
- Preferred name
- 1H-Tetrazole-1-propanoic acid, 5-(3-pyridinyl)-
- IUPAC
- 3-(5-pyridin-3-yltetrazol-1-yl)propanoic acid
Names & synonyms
DTXSID001244518AKOS0151580181H-Tetrazole-1-propanoic acid, 5-(3-pyridinyl)-3-[5-(Pyridin-3-yl)-1H-tetrazol-1-yl]propanoic acid1266867-76-8
Database identifiers
- CAS
1266867-76-8- PubChem CID
- 65816629
- DTXSID
DTXSID001244518
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
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Compound notes
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