3(2H)-Pyridazinone, 6-(ethyl(2-hydroxyethyl)amino)-, hydrazone, dihydrochloride

CAS Number: 56393-09-0
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CCN(CCO)c(cc1)nnc1NN.Cl.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.HCl.C8H15N5O
Molecular Weight
197.241
Drug-likeness
-0.028541
CAS
56393-09-0
InChI key
DMLZRHRYZJEMQK-UHFFFAOYSA-N
SMILES
CCN(CCO)c(cc1)nnc1NN.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 56393-09-0
Molecule Name 3(2H)-Pyridazinone, 6-(ethyl(2-hydroxyethyl)amino)-, hydrazone, dihydrochloride
Molecular Formula HCl.HCl.C8H15N5O
SMILES CCN(CCO)c(cc1)nnc1NN.Cl.Cl
InChI InChI=1S/C8H15N5O.2ClH/c1-2-13(5-6-14)8-4-3-7(10-9)11-12-8;;/h3-4,14H,2,5-6,9H2,1H3,(H,10,11);2*1H
InChI Key DMLZRHRYZJEMQK-UHFFFAOYSA-N
CanonicalSyTyLFy 294ca4163b465668
TotalMolweight 270.163
Molecular Weight 197.241
MonoisotopicMass 197.12766
CLogP 0.2774
CLogS -1.343
H Acceptors 6
H Donors 3
TotalSurfaceArea 160.95
Relative PSA 0.40584
PolarSurfaceArea 87.3
Drug-likeness -0.028541
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.71429
Molecula Flexibility 0.62824
Molecular Complexity 0.63126
Fragments 3
Non HAtoms 14
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 5
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 6
Aromatic Nitrogens 2

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