6-Chloro-2-(2-cyanoethyl)-2,3-dihydro-s-triazolo[4,3-b]pyridazin-3-on

HCID 20344346
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Basic information

Standard SMILES
N#CCCn1nc2ccc(Cl)nn2c1=O
InChIKey
DTGZLZPZLSLXND-UHFFFAOYSA-N
Molecular formula
C8H6ClN5O
Average molar mass
223.62 g/mol

Names & identifiers

Preferred name
6-Chloro-2-(2-cyanoethyl)-2,3-dihydro-s-triazolo[4,3-b]pyridazin-3-on
IUPAC
3-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)propanenitrile

Names & synonyms

SCHEMBL11469753DTGZLZPZLSLXND-UHFFFAOYSA-N6-chloro-2-(2-cyanoethyl)-2,3-dihydro-s-triazolo[4,3-b]pyridazin-3-on

Database identifiers

PubChem CID
20344346

Properties

Computed structural properties

XLogP
0
Topological polar surface area
72.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15

Related reactions

5 records
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Compound notes

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