2,3-Dimethyl-2H-indazol-6-amine--hydrogen chloride (1/1)

CAS Number: 635702-60-2
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Cc1c(ccc(N)c2)c2nn1C.Cl
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: low
Formula
HCl.C9H11N3
Molecular Weight
161.207
Drug-likeness
2.3515
CAS
635702-60-2
InChI key
DYTQJZDNKWQSLS-UHFFFAOYSA-N
SMILES
Cc1c(ccc(N)c2)c2nn1C.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: none
PropertyValue
CAS Number 635702-60-2
Molecule Name 2,3-Dimethyl-2H-indazol-6-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C9H11N3
SMILES Cc1c(ccc(N)c2)c2nn1C.Cl
InChI InChI=1S/C9H11N3.ClH/c1-6-8-4-3-7(10)5-9(8)11-12(6)2;/h3-5H,10H2,1-2H3;1H
InChI Key DYTQJZDNKWQSLS-UHFFFAOYSA-N
CanonicalSyTyLFy 483a2b2ff7ef6d0e
TotalMolweight 197.668
Molecular Weight 161.207
MonoisotopicMass 161.095297
CLogP 0.7594
CLogS -2.328
H Acceptors 3
H Donors 1
TotalSurfaceArea 128.86
Relative PSA 0.25695
PolarSurfaceArea 43.84
Drug-likeness 2.3515
Mutagenic high
Tumorigenic none
Reproductive Effective none
Irritant low
Shape Index 0.58333
Molecular Complexity 0.79792
Fragments 2
Non HAtoms 12
NonCHAtoms 3
Electronegative Atoms 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Sp3Atoms 2
Amines 1
Aromatic Amines 1
Aromatic Nitrogens 2

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