Imidazo[1,2-a]pyridin-6-amine--hydrogen chloride (1/1)

CAS Number: 1306604-40-9
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Nc(cc1)cn2c1ncc2.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C7H7N3
Molecular Weight
133.154
Drug-likeness
-0.3625
CAS
1306604-40-9
InChI key
NCEBWAUIRSROFP-UHFFFAOYSA-N
SMILES
Nc(cc1)cn2c1ncc2.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1306604-40-9
Molecule Name Imidazo[1,2-a]pyridin-6-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C7H7N3
SMILES Nc(cc1)cn2c1ncc2.Cl
InChI InChI=1S/C7H7N3.ClH/c8-6-1-2-7-9-3-4-10(7)5-6;/h1-5H,8H2;1H
InChI Key NCEBWAUIRSROFP-UHFFFAOYSA-N
CanonicalSyTyLFy a96ce7d81ff07ceb
TotalMolweight 169.615
Molecular Weight 133.154
MonoisotopicMass 133.063997
CLogP -0.0752
CLogS -2.973
H Acceptors 3
H Donors 1
TotalSurfaceArea 105.79
Relative PSA 0.32319
PolarSurfaceArea 43.32
Drug-likeness -0.3625
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecular Complexity 0.76133
Fragments 2
Non HAtoms 10
NonCHAtoms 3
Electronegative Atoms 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Amines 1
Aromatic Amines 1
Aromatic Nitrogens 2
BasicNitrogens 1

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