(2,6-dihydrazinyl-7H-purin-8-yl)hydrazine

CAS Number: 89365-25-3
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NNc1nc2nc(NN)nc(NN)c2[nH]1
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: high
Formula
C5H10N10
Molecular Weight
210.204
Drug-likeness
-2.6339
CAS
89365-25-3
InChI key
HHWMHGJYHNMANC-UHFFFAOYSA-N
SMILES
NNc1nc2nc(NN)nc(NN)c2[nH]1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: low
PropertyValue
CAS Number 89365-25-3
Molecule Name (2,6-dihydrazinyl-7H-purin-8-yl)hydrazine
Molecular Formula C5H10N10
SMILES NNc1nc2nc(NN)nc(NN)c2[nH]1
InChI InChI=1S/C5H10N10/c6-13-3-1-2(10-4(9-1)14-7)11-5(12-3)15-8/h6-8H2,(H4,9,10,11,12,13,14,15)
InChI Key HHWMHGJYHNMANC-UHFFFAOYSA-N
CanonicalSyTyLFy 252b7b2a1dd93be5
TotalMolweight 210.204
Molecular Weight 210.204
MonoisotopicMass 210.10899
CLogP 0.9568
CLogS -2.117
H Acceptors 10
H Donors 7
TotalSurfaceArea 153.65
Relative PSA 0.82714
PolarSurfaceArea 168.61
Drug-likeness -2.6339
Mutagenic high
Tumorigenic high
Reproductive Effective low
Irritant high
Nasty Functions hydrazine
Shape Index 0.6
Molecula Flexibility 0.25899
Molecular Complexity 0.77749
Fragments 1
Non HAtoms 15
NonCHAtoms 10
Electronegative Atoms 10
Rotatable Bond 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Sp3Atoms 3
Aromatic Nitrogens 4
BasicNitrogens 3

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