6-Methoxy-1H-indazol-4-amine

CAS Number: 1000341-20-7
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COc1cc(N)c(cn[nH]2)c2c1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C8H9N3O
Molecular Weight
163.179
Drug-likeness
1.9722
CAS
1000341-20-7
InChI key
GFDOZLUNMUNFEY-UHFFFAOYSA-N
SMILES
COc1cc(N)c(cn[nH]2)c2c1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1000341-20-7
Molecule Name 6-Methoxy-1H-indazol-4-amine
Molecular Formula C8H9N3O
SMILES COc1cc(N)c(cn[nH]2)c2c1
InChI InChI=1S/C8H9N3O/c1-12-5-2-7(9)6-4-10-11-8(6)3-5/h2-4H,9H2,1H3,(H,10,11)
InChI Key GFDOZLUNMUNFEY-UHFFFAOYSA-N
CanonicalSyTyLFy bce0f539cc64c6f4
TotalMolweight 163.179
Molecular Weight 163.179
MonoisotopicMass 163.074562
CLogP 0.1228
CLogS -1.784
H Acceptors 4
H Donors 2
TotalSurfaceArea 126.97
Relative PSA 0.39561
PolarSurfaceArea 63.93
Drug-likeness 1.9722
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.58333
Molecula Flexibility 0.18428
Molecular Complexity 0.73647
Fragments 1
Non HAtoms 12
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 1
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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