Imidazo[1,2-b]pyridazine--hydrogen chloride (1/1)

CAS Number: 18087-70-2
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c1cnc2n1nccc2.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C6H5N3
Molecular Weight
119.127
Drug-likeness
3.4758
CAS
18087-70-2
InChI key
CQRMOYNFGLMEAJ-UHFFFAOYSA-N
SMILES
c1cnc2n1nccc2.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 18087-70-2
Molecule Name Imidazo[1,2-b]pyridazine--hydrogen chloride (1/1)
Molecular Formula HCl.C6H5N3
SMILES c1cnc2n1nccc2.Cl
InChI InChI=1S/C6H5N3.ClH/c1-2-6-7-4-5-9(6)8-3-1;/h1-5H;1H
InChI Key CQRMOYNFGLMEAJ-UHFFFAOYSA-N
CanonicalSyTyLFy 3aeef2c3b58df637
TotalMolweight 155.588
Molecular Weight 119.127
MonoisotopicMass 119.048347
CLogP -0.4377
CLogS -1.438
H Acceptors 3
TotalSurfaceArea 96.03
Relative PSA 0.31126
PolarSurfaceArea 30.19
Drug-likeness 3.4758
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.55556
Molecular Complexity 0.73271
Fragments 2
Non HAtoms 9
NonCHAtoms 3
Electronegative Atoms 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Aromatic Nitrogens 3
BasicNitrogens 1

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