6-Chloro-7-cyclobutyl-3-phenyl-1,2,4-triazolo[4,3-b]pyridazine

HCID 11000593

Basic information

Standard SMILES
Clc1nn2c(-c3ccccc3)nnc2cc1C1CCC1
InChIKey
KHTBOHFYNQGICR-UHFFFAOYSA-N
Molecular formula
C15H13ClN4
Average molar mass
284.74 g/mol
Monoisotopic mass
284.0828741

Names & identifiers

Preferred name
6-Chloro-7-cyclobutyl-3-phenyl-1,2,4-triazolo[4,3-b]pyridazine
IUPAC
6-chloro-7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine

Names & synonyms

SCHEMBL2646849KHTBOHFYNQGICR-UHFFFAOYSA-N6chloro-7-cyclobutyl-3-phenyl-1,2,4triazolo[4,3-b]pyridazine6-Chloro-7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine6-Chloro-7-cyclobutyl-3-phenyl-1,2,4-triazolo[4,3-b]pyridazine6-chloro-7-cyclobutyl-3-phenyl-1,2,4-triazolo[4.3-b]pyridazine

Database identifiers

PubChem CID
11000593

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
43.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
20

Related reactions

16 records

Linked notes

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