Basic information
- CAS
1245647-12-4- Standard SMILES
c1cnc(OCc2ccc3[nH]ncc3c2)nc1- InChIKey
CBOVYTPZAFTCOX-UHFFFAOYSA-N- Molecular formula
- C12H10N4O
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.08546096
Names & identifiers
- Preferred name
- 5-{[(Pyrimidin-2-yl)oxy]methyl}-1H-indazole
- IUPAC
- 5-(pyrimidin-2-yloxymethyl)-1H-indazole
Names & synonyms
1245647-12-45-{[(Pyrimidin-2-yl)oxy]methyl}-1H-indazoleDTXSID80705187
Database identifiers
- CAS
1245647-12-4- PubChem CID
- 53486972
- DTXSID
DTXSID80705187
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…