Basic information
- CAS
15476-07-0- Standard SMILES
CC(O)C(O)C(O)c1cnn(-c2ccccc2)n1- InChIKey
RTEJFELKLNBSBR-UHFFFAOYSA-N- Molecular formula
- C12H15N3O3
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.11134135
Names & identifiers
- Preferred name
- 1-(2-Phenyltriazol-4-yl)butane-1,2,3-triol
- IUPAC
- 1-(2-phenyltriazol-4-yl)butane-1,2,3-triol
Names & synonyms
15476-07-01-(2-phenyltriazol-4-yl)butane-1,2,3-triolNSC405916DTXSID90324166NSC-4059161-(2-Phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triol
Database identifiers
- CAS
15476-07-0- PubChem CID
- 347309
- DTXSID
DTXSID90324166
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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