Pyrazolo[1,5-a]pyridin-3-amine--hydrogen chloride (1/1)

CAS Number: 136548-72-6
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Nc1c(cccc2)n2nc1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C7H7N3
Molecular Weight
133.154
Drug-likeness
3.6614
CAS
136548-72-6
InChI key
DWDHDSPZVVNBSC-UHFFFAOYSA-N
SMILES
Nc1c(cccc2)n2nc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 136548-72-6
Molecule Name Pyrazolo[1,5-a]pyridin-3-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C7H7N3
SMILES Nc1c(cccc2)n2nc1.Cl
InChI InChI=1S/C7H7N3.ClH/c8-6-5-9-10-4-2-1-3-7(6)10;/h1-5H,8H2;1H
InChI Key DWDHDSPZVVNBSC-UHFFFAOYSA-N
CanonicalSyTyLFy ef1dcd0b616b96f
TotalMolweight 169.615
Molecular Weight 133.154
MonoisotopicMass 133.063997
CLogP -0.397
CLogS -1.464
H Acceptors 3
H Donors 1
TotalSurfaceArea 105.79
Relative PSA 0.32319
PolarSurfaceArea 43.32
Drug-likeness 3.6614
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecular Complexity 0.79406
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

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