3(2H)-Pyridazinone, 6-(dimethylamino)-, hydrazone, dihydrochloride

CAS Number: 56393-05-6
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CN(C)c1ccc(NN)nn1.Cl.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.HCl.C6H11N5
Molecular Weight
153.188
Drug-likeness
-2.7206
CAS
56393-05-6
InChI key
UGHCPGAPPVPXEE-UHFFFAOYSA-N
SMILES
CN(C)c1ccc(NN)nn1.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 56393-05-6
Molecule Name 3(2H)-Pyridazinone, 6-(dimethylamino)-, hydrazone, dihydrochloride
Molecular Formula HCl.HCl.C6H11N5
SMILES CN(C)c1ccc(NN)nn1.Cl.Cl
InChI InChI=1S/C6H11N5.2ClH/c1-11(2)6-4-3-5(8-7)9-10-6;;/h3-4H,7H2,1-2H3,(H,8,9);2*1H
InChI Key UGHCPGAPPVPXEE-UHFFFAOYSA-N
CanonicalSyTyLFy b00039726a383ab7
TotalMolweight 226.11
Molecular Weight 153.188
MonoisotopicMass 153.101445
CLogP 0.3915
CLogS -1.25
H Acceptors 5
H Donors 2
TotalSurfaceArea 125.58
Relative PSA 0.41583
PolarSurfaceArea 67.07
Drug-likeness -2.7206
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.72727
Molecula Flexibility 0.41223
Molecular Complexity 0.6271
Fragments 3
Non HAtoms 11
NonCHAtoms 5
Electronegative Atoms 5
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 3
Symmetricatoms 1
Aromatic Nitrogens 2

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