(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine

CAS Number: 6288-92-2
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Cc1nc(n(C)nc2)c2c(NN)n1
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
C7H10N6
Molecular Weight
178.198
Drug-likeness
0.21606
CAS
6288-92-2
InChI key
CAJFOFKKMPXQGA-UHFFFAOYSA-N
SMILES
Cc1nc(n(C)nc2)c2c(NN)n1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 6288-92-2
Molecule Name (1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
Molecular Formula C7H10N6
SMILES Cc1nc(n(C)nc2)c2c(NN)n1
InChI InChI=1S/C7H10N6/c1-4-10-6(12-8)5-3-9-13(2)7(5)11-4/h3H,8H2,1-2H3,(H,10,11,12)
InChI Key CAJFOFKKMPXQGA-UHFFFAOYSA-N
CanonicalSyTyLFy cdf14e188df08603
TotalMolweight 178.198
Molecular Weight 178.198
MonoisotopicMass 178.096694
CLogP 0.3058
CLogS -1.672
H Acceptors 6
H Donors 2
TotalSurfaceArea 137.84
Relative PSA 0.48252
PolarSurfaceArea 81.65
Drug-likeness 0.21606
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.53846
Molecula Flexibility 0.087812
Molecular Complexity 0.7473
Fragments 1
Non HAtoms 13
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Sp3Atoms 3
Aromatic Nitrogens 4

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