4-Hydrazinylpyridazine--hydrogen chloride (1/1)

CAS Number: 117044-03-8
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NNc1cnncc1.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C4H6N4
Molecular Weight
110.12
Drug-likeness
-4.3224
CAS
117044-03-8
InChI key
HHNKBBKUWRKYHL-UHFFFAOYSA-N
SMILES
NNc1cnncc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 117044-03-8
Molecule Name 4-Hydrazinylpyridazine--hydrogen chloride (1/1)
Molecular Formula HCl.C4H6N4
SMILES NNc1cnncc1.Cl
InChI InChI=1S/C4H6N4.ClH/c5-8-4-1-2-6-7-3-4;/h1-3H,5H2,(H,6,8);1H
InChI Key HHNKBBKUWRKYHL-UHFFFAOYSA-N
CanonicalSyTyLFy 5e7194f1cf8b94da
TotalMolweight 146.581
Molecular Weight 110.12
MonoisotopicMass 110.059246
CLogP -0.2077
CLogS -0.164
H Acceptors 4
H Donors 2
TotalSurfaceArea 90.76
Relative PSA 0.53625
PolarSurfaceArea 63.83
Drug-likeness -4.3224
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.75
Molecula Flexibility 0.32203
Molecular Complexity 0.59947
Fragments 2
Non HAtoms 8
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1
Aromatic Nitrogens 2

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