Basic information
- CAS
54807-07-7- Standard SMILES
c1ccc(-c2nnc3nc(N4CCCCC4)nc(N4CCCCC4)n23)cc1- InChIKey
WMQDQVQEMZMTFU-UHFFFAOYSA-N- Molecular formula
- C20H25N7
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.21714383
Names & identifiers
- Preferred name
- 3-Phenyl-5,7-di(piperidin-1-yl)[1,2,4]triazolo[4,3-a][1,3,5]triazine
- IUPAC
- 3-phenyl-5,7-di(piperidin-1-yl)-[1,2,4]triazolo[4,3-a][1,3,5]triazine
Names & synonyms
MLS00270352054807-07-7NSC998673-phenyl-5,7-di(piperidin-1-yl)[1,2,4]triazolo[4,3-a][1,3,5]triazineCHEMBL1891564DTXSID10295142NSC-99867SMR001570237
Database identifiers
- CAS
54807-07-7- PubChem CID
- 264679
- DTXSID
DTXSID10295142- ChEMBL
CHEMBL1891564
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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