2-[1-(cyclopropylmethyl)piperidin-4-yl]-7-(2,4-dichlorophenyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
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Basic information
- Standard SMILES
O=c1[nH]c(-c2ccc(Cl)cc2Cl)cc2nc(C3CCN(CC4CC4)CC3)nn12- InChIKey
BRKMSQHCXHMFLY-UHFFFAOYSA-N- Molecular formula
- C20H21Cl2N5O
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 417.1123157
Names & identifiers
- Preferred name
- 2-[1-(cyclopropylmethyl)piperidin-4-yl]-7-(2,4-dichlorophenyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
- IUPAC
- 2-[1-(cyclopropylmethyl)piperidin-4-yl]-7-(2,4-dichlorophenyl)-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
Names & synonyms
SCHEMBL1119577
Database identifiers
- PubChem CID
- 136104191
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 634
Related reactions
1 records
Compound notes
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