1-(2-Butenyl)-7-chloro-2,3-dimethylpyrrolo[2,3-d]pyridazine

HCID 53719624
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Basic information

Standard SMILES
CC=CCn1c(C)c(C)c2cnnc(Cl)c21
InChIKey
CGIUBTMVMYIEJB-UHFFFAOYSA-N
Molecular formula
C12H14ClN3
Average molar mass
235.71 g/mol
Monoisotopic mass
235.0876252

Names & identifiers

Preferred name
1-(2-Butenyl)-7-chloro-2,3-dimethylpyrrolo[2,3-d]pyridazine
IUPAC
1-but-2-enyl-7-chloro-2,3-dimethylpyrrolo[2,3-d]pyridazine

Names & synonyms

SCHEMBL7479782CGIUBTMVMYIEJB-UHFFFAOYSA-N1-(2-butenyl)-7-chloro-2,3-dimethylpyrrolo[2,3-d]pyridazine1-(2-butenyl)-7-choro-2,3-dimethylpyrrolo[2,3-d]pyridazine

Database identifiers

PubChem CID
53719624

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
30.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
16

Related reactions

23 records
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Linked notes

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