Basic information
- Standard SMILES
O=c1[nH]c(-c2ccc(Cl)cc2Cl)cc2nc(C3CCN(C4CC4)CC3)nn12- InChIKey
WZWDICPOUVSOFZ-UHFFFAOYSA-N- Molecular formula
- C19H19Cl2N5O
- Average molar mass
- 404.3 g/mol
- Monoisotopic mass
- 403.0966656
Names & identifiers
- Preferred name
- 2-(1-Cyclopropylpiperidin-4-yl)-7-(2,4-dichlorophenyl)[1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one
- IUPAC
- 2-(1-cyclopropylpiperidin-4-yl)-7-(2,4-dichlorophenyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
Names & synonyms
SCHEMBL1120056WZWDICPOUVSOFZ-UHFFFAOYSA-N2-(1-Cyclopropylpiperidin-4-yl)-7-(2,4-dichlorophenyl)[1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one
Database identifiers
- PubChem CID
- 136104187
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 619
Related reactions
3 records
Compound notes
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