Structural Complex
Chemical ID: A1JYZ
IUPAC Name: 3-chloranyl-6-methyl-pyridazine
Formal Charge: 0
Type: non-polymer
Substructure
Substruture Type: MurckoScaffold
SMILES: c1ccnnc1
InChI: InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H
InChI Key: PBMFSQRYOILNGV-UHFFFAOYSA-N
Physiochemical Descriptor:
Formula: C5 H5 Cl N2
Molecular weight: 128.560
Hydrogen Bond Acceptor: 2
Hydrogen Bond Donor: 0
Rotatable Bonds: 0
Heavy Atoms: 8
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.7 3-chloranyl-6-methyl-pyridazine
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/C5H5ClN2/c1-4-2-3-5(6)8-7-4/h2-3H,1H3
InChIKey InChI 1.06 PRORLQAJNJMGAR-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 Cc1ccc(Cl)nn1
SMILES CACTVS 3.385 Cc1ccc(Cl)nn1
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 Cc1ccc(nn1)Cl
SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(nn1)Cl
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