6-(Propan-2-yl)-1H-indazol-4-amine

CAS Number: 1000343-74-7
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CC(C)c1cc([nH]nc2)c2c(N)c1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H13N3
Molecular Weight
175.234
Drug-likeness
1.6211
CAS
1000343-74-7
InChI key
AVIMIKVBGQYPTR-UHFFFAOYSA-N
SMILES
CC(C)c1cc([nH]nc2)c2c(N)c1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1000343-74-7
Molecule Name 6-(Propan-2-yl)-1H-indazol-4-amine
Molecular Formula C10H13N3
SMILES CC(C)c1cc([nH]nc2)c2c(N)c1
InChI InChI=1S/C10H13N3/c1-6(2)7-3-9(11)8-5-12-13-10(8)4-7/h3-6H,11H2,1-2H3,(H,12,13)
InChI Key AVIMIKVBGQYPTR-UHFFFAOYSA-N
CanonicalSyTyLFy 7183426929f3410d
TotalMolweight 175.234
Molecular Weight 175.234
MonoisotopicMass 175.110947
CLogP 1.3798
CLogS -2.637
H Acceptors 3
H Donors 2
TotalSurfaceArea 141.73
Relative PSA 0.28385
PolarSurfaceArea 54.7
Drug-likeness 1.6211
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.53846
Molecula Flexibility 0.27123
Molecular Complexity 0.71389
Fragments 1
Non HAtoms 13
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Sp3Atoms 3
Symmetricatoms 1
Amines 1
Aromatic Amines 1
Aromatic Nitrogens 2

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