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Basic information
- Standard SMILES
c1ccc(Cn2nncc2NC2CCOCC2)cc1- InChIKey
PZUSTRFPDGMIHQ-UHFFFAOYSA-N- Molecular formula
- C14H18N4O
- Average molar mass
- 258.32 g/mol
- Monoisotopic mass
- 258.14806121
Names & identifiers
- Preferred name
- 1-benzyl-N-(tetrahydro-2H-pyran-4-yl)-1H-1,2,3-triazol-5-amine
- IUPAC
- 3-benzyl-N-(oxan-4-yl)triazol-4-amine
Names & synonyms
SCHEMBL1370952PZUSTRFPDGMIHQ-UHFFFAOYSA-N1-benzyl-N-(tetrahydro-2H-pyran-4-yl)-1H-1,2,3-triazol-5-amine
Database identifiers
- PubChem CID
- 67008917
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 264
Related reactions
11 records
Compound notes
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