Basic information
- Standard SMILES
O=c1[nH]c(-c2ccc(Cl)cc2Cl)cc2nc(C3CCNCC3)nn12- InChIKey
SENNVLBQZWLBID-UHFFFAOYSA-N- Molecular formula
- C16H15Cl2N5O
- Average molar mass
- 364.2 g/mol
- Monoisotopic mass
- 363.0653655
Names & identifiers
- Preferred name
- 7-(2,4-dichlorophenyl)-2-piperidin-4-yl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
- IUPAC
- 7-(2,4-dichlorophenyl)-2-piperidin-4-yl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
Names & synonyms
SCHEMBL7991065
Database identifiers
- PubChem CID
- 136104189
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 525
Related reactions
2 records
Compound notes
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