Pyridazine, 3-hydrazino-6-(1-pyrrolyl)-, monohydrochloride

CAS Number: 75792-80-2
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NNc1ccc(-n2cccc2)nn1.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C8H9N5
Molecular Weight
175.194
Drug-likeness
-2.8508
CAS
75792-80-2
InChI key
GOLRXMXHCKCZQV-UHFFFAOYSA-N
SMILES
NNc1ccc(-n2cccc2)nn1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 75792-80-2
Molecule Name Pyridazine, 3-hydrazino-6-(1-pyrrolyl)-, monohydrochloride
Molecular Formula HCl.C8H9N5
SMILES NNc1ccc(-n2cccc2)nn1.Cl
InChI InChI=1S/C8H9N5.ClH/c9-10-7-3-4-8(12-11-7)13-5-1-2-6-13;/h1-6H,9H2,(H,10,11);1H
InChI Key GOLRXMXHCKCZQV-UHFFFAOYSA-N
CanonicalSyTyLFy bc4fecd8a94f7d6c
TotalMolweight 211.655
Molecular Weight 175.194
MonoisotopicMass 175.085795
CLogP 1.7686
CLogS -2.117
H Acceptors 5
H Donors 2
TotalSurfaceArea 139.72
Relative PSA 0.39751
PolarSurfaceArea 68.76
Drug-likeness -2.8508
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.69231
Molecula Flexibility 0.29791
Molecular Complexity 0.58491
Fragments 2
Non HAtoms 13
NonCHAtoms 5
Electronegative Atoms 5
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 11
Sp3Atoms 1
Symmetricatoms 2
Aromatic Nitrogens 3

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