3-Hydrazinylpyridine--hydrogen chloride (1/2)

CAS Number: 364727-74-2
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NNc1cccnc1.Cl.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.HCl.C5H7N3
Molecular Weight
109.132
Drug-likeness
-4.3224
CAS
364727-74-2
InChI key
QJFANABRDIUIEI-UHFFFAOYSA-N
SMILES
NNc1cccnc1.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 364727-74-2
Molecule Name 3-Hydrazinylpyridine--hydrogen chloride (1/2)
Molecular Formula HCl.HCl.C5H7N3
SMILES NNc1cccnc1.Cl.Cl
InChI InChI=1S/C5H7N3.2ClH/c6-8-5-2-1-3-7-4-5;;/h1-4,8H,6H2;2*1H
InChI Key QJFANABRDIUIEI-UHFFFAOYSA-N
CanonicalSyTyLFy 2b466df005946f9d
TotalMolweight 182.053
Molecular Weight 109.132
MonoisotopicMass 109.063997
CLogP 0.6212
CLogS -0.615
H Acceptors 3
H Donors 2
TotalSurfaceArea 92
Relative PSA 0.40978
PolarSurfaceArea 50.94
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 0.62123
Fragments 3
Non HAtoms 8
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1
Aromatic Nitrogens 1

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