Pyridazine, 3-hydrazino-6-(2-methyl-1-imidazolyl)-, dihydrochloride

CAS Number: 78318-49-7
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Cc1nccn1-c1ccc(NN)nn1.Cl.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.HCl.C8H10N6
Molecular Weight
190.209
Drug-likeness
-2.3344
CAS
78318-49-7
InChI key
URJFBHURQRHPAH-UHFFFAOYSA-N
SMILES
Cc1nccn1-c1ccc(NN)nn1.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 78318-49-7
Molecule Name Pyridazine, 3-hydrazino-6-(2-methyl-1-imidazolyl)-, dihydrochloride
Molecular Formula HCl.HCl.C8H10N6
SMILES Cc1nccn1-c1ccc(NN)nn1.Cl.Cl
InChI InChI=1S/C8H10N6.2ClH/c1-6-10-4-5-14(6)8-3-2-7(11-9)12-13-8;;/h2-5H,9H2,1H3,(H,11,12);2*1H
InChI Key URJFBHURQRHPAH-UHFFFAOYSA-N
CanonicalSyTyLFy 8fe9d3a7d7c3fc42
TotalMolweight 263.131
Molecular Weight 190.209
MonoisotopicMass 190.096694
CLogP 1.4397
CLogS -1.536
H Acceptors 6
H Donors 2
TotalSurfaceArea 150.74
Relative PSA 0.44122
PolarSurfaceArea 81.65
Drug-likeness -2.3344
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.64286
Molecula Flexibility 0.33834
Molecular Complexity 0.67908
Fragments 3
Non HAtoms 14
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 11
Sp3Atoms 2
Aromatic Nitrogens 4

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