Pyridazine, 6-((2-(diethylamino)ethyl)amino)-3-hydrazino-, trihydrochloride

CAS Number: 66125-69-7
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CCN(CC)CCNc1ccc(NN)nn1.Cl.Cl.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: high
Formula
HCl.HCl.HCl.C10H20N6
Molecular Weight
224.311
Drug-likeness
3.3661
CAS
66125-69-7
InChI key
UWOOOFSESJSTRD-UHFFFAOYSA-N
SMILES
CCN(CC)CCNc1ccc(NN)nn1.Cl.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 66125-69-7
Molecule Name Pyridazine, 6-((2-(diethylamino)ethyl)amino)-3-hydrazino-, trihydrochloride
Molecular Formula HCl.HCl.HCl.C10H20N6
SMILES CCN(CC)CCNc1ccc(NN)nn1.Cl.Cl.Cl
InChI InChI=1S/C10H20N6.3ClH/c1-3-16(4-2)8-7-12-9-5-6-10(13-11)15-14-9;;;/h5-6H,3-4,7-8,11H2,1-2H3,(H,12,14)(H,13,15);3*1H
InChI Key UWOOOFSESJSTRD-UHFFFAOYSA-N
CanonicalSyTyLFy b0a1852c5695e0ca
TotalMolweight 333.694
Molecular Weight 224.311
MonoisotopicMass 224.174944
CLogP 0.6545
CLogS -1.297
H Acceptors 6
H Donors 3
TotalSurfaceArea 192.08
Relative PSA 0.33153
PolarSurfaceArea 79.1
Drug-likeness 3.3661
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant high
Nasty Functions hydrazine
Shape Index 0.75
Molecula Flexibility 0.59839
Molecular Complexity 0.55002
Fragments 4
Non HAtoms 16
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 7
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 8
Symmetricatoms 2
Amines 1
AlkylAmines 1
Aromatic Nitrogens 2
BasicNitrogens 1

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