6-[4-(4-Chloro-phthalazin-1-yl)-piperazin-1-yl]-nicotinonitrile

HCID 44186379
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Basic information

Standard SMILES
N#Cc1ccc(N2CCN(c3nnc(Cl)c4ccccc34)CC2)nc1
InChIKey
AZXSGOIEEDSNJX-UHFFFAOYSA-N
Molecular formula
C18H15ClN6
Average molar mass
350.8 g/mol

Names & identifiers

Preferred name
6-[4-(4-Chloro-phthalazin-1-yl)-piperazin-1-yl]-nicotinonitrile
IUPAC
6-[4-(4-chlorophthalazin-1-yl)piperazin-1-yl]pyridine-3-carbonitrile

Names & synonyms

SCHEMBL3601540AZXSGOIEEDSNJX-UHFFFAOYSA-N6-[4-(4-Chloro-phthalazin-1-yl)-piperazin-1-yl]-nicotinonitrile

Database identifiers

PubChem CID
44186379

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
68.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
25

Related reactions

2 records
New reaction record

Linked notes

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