N,N-Diethyl-6-hydrazinylidene-1,6-dihydropyridazin-3-amine--hydrogen chloride (1/2)

CAS Number: 56393-08-9
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CCN(CC)C(C=C1)=NN/C1=N/N.Cl.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.HCl.C8H15N5
Molecular Weight
181.242
Drug-likeness
1.7688
CAS
56393-08-9
InChI key
IJFDLLLDQQRTQM-UHFFFAOYSA-N
SMILES
CCN(CC)C(C=C1)=NN/C1=N/N.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 56393-08-9
Molecule Name N,N-Diethyl-6-hydrazinylidene-1,6-dihydropyridazin-3-amine--hydrogen chloride (1/2)
Molecular Formula HCl.HCl.C8H15N5
SMILES CCN(CC)C(C=C1)=NN/C1=N/N.Cl.Cl
InChI InChI=1S/C8H15N5.2ClH/c1-3-13(4-2)8-6-5-7(10-9)11-12-8;;/h5-6H,3-4,9H2,1-2H3,(H,10,11);2*1H
InChI Key IJFDLLLDQQRTQM-UHFFFAOYSA-N
CanonicalSyTyLFy b05926e9bc07794c
TotalMolweight 254.164
Molecular Weight 181.242
MonoisotopicMass 181.132745
CLogP -0.1127
CLogS -1.611
H Acceptors 5
H Donors 2
TotalSurfaceArea 154.76
Relative PSA 0.3444
PolarSurfaceArea 66.01
Drug-likeness 1.7688
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.69231
Molecula Flexibility 0.56738
Molecular Complexity 0.6307
Fragments 3
Non HAtoms 13
NonCHAtoms 5
Electronegative Atoms 5
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 4
Symmetricatoms 2
BasicNitrogens 1

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