1-(5-amino-2-(oxetan-3-yloxy)phenyl)-4-methyl-1H-tetrazol-5(4H)-one
Basic information
- Standard SMILES
Cn1nnn(-c2cc(N)ccc2OC2COC2)c1=O- InChIKey
LMUDBRIHFQQGTH-UHFFFAOYSA-N- Molecular formula
- C11H13N5O3
- Average molar mass
- 263.25 g/mol
- Monoisotopic mass
- 263.10183929
Names & identifiers
- Preferred name
- 1-(5-amino-2-(oxetan-3-yloxy)phenyl)-4-methyl-1H-tetrazol-5(4H)-one
- IUPAC
- 1-[5-amino-2-(oxetan-3-yloxy)phenyl]-4-methyltetrazol-5-one
Names & synonyms
SCHEMBL1944258LMUDBRIHFQQGTH-UHFFFAOYSA-N1-(5-amino-2-(oxetan-3-yloxy)phenyl)-4-methyl-1H-tetrazol-5(4H)-one1-(5-amino-2-(oxetan-3-yloxy)phenyl)-4-methyl-1H-tetrazol-5-(4H)-one
Database identifiers
- PubChem CID
- 58287232
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 387
Related reactions
3 records
Compound notes
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