Pyridazin-3-amine--hydrogen chloride (1/1)

CAS Number: 89203-22-5
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Nc1cccnn1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C4H5N3
Molecular Weight
95.1047
Drug-likeness
-1.9084
CAS
89203-22-5
InChI key
GCRUEXFJNQVIJM-UHFFFAOYSA-N
SMILES
Nc1cccnn1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 89203-22-5
Molecule Name Pyridazin-3-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C4H5N3
SMILES Nc1cccnn1.Cl
InChI InChI=1S/C4H5N3.ClH/c5-4-2-1-3-6-7-4;/h1-3H,(H2,5,7);1H
InChI Key GCRUEXFJNQVIJM-UHFFFAOYSA-N
CanonicalSyTyLFy a7299c41f2b20fe2
TotalMolweight 131.566
Molecular Weight 95.1047
MonoisotopicMass 95.048347
CLogP -0.4961
CLogS -0.971
H Acceptors 3
H Donors 1
TotalSurfaceArea 79.3
Relative PSA 0.46923
PolarSurfaceArea 51.8
Drug-likeness -1.9084
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 7
NonCHAtoms 3
Electronegative Atoms 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Aromatic Nitrogens 2

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