Basic information
- Standard SMILES
Cc1nn(C2CCCCO2)c2cccc(C#N)c12- InChIKey
VZTOJHWHNJRSHD-UHFFFAOYSA-N- Molecular formula
- C14H15N3O
- Average molar mass
- 241.29 g/mol
- Monoisotopic mass
- 241.12151211
Names & identifiers
- Preferred name
- 3-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole-4-carbonitrile
- IUPAC
- 3-methyl-1-(oxan-2-yl)indazole-4-carbonitrile
Names & synonyms
SCHEMBL14722738VZTOJHWHNJRSHD-UHFFFAOYSA-N3-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole-4-carbonitrile
Database identifiers
- PubChem CID
- 71272249
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Related reactions
2 records
Compound notes
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