(2-Pyridin-4-ylethyl)hydrazine

CAS Number: 2587-14-6
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NNCCc1ccncc1
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: none
Formula
C7H11N3
Molecular Weight
137.185
Drug-likeness
-3.3329
CAS
2587-14-6
InChI key
HMCWZAZLRFMRPY-UHFFFAOYSA-N
SMILES
NNCCc1ccncc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 2587-14-6
Molecule Name (2-Pyridin-4-ylethyl)hydrazine
Molecular Formula C7H11N3
SMILES NNCCc1ccncc1
InChI InChI=1S/C7H11N3/c8-10-6-3-7-1-4-9-5-2-7/h1-2,4-5,10H,3,6,8H2
InChI Key HMCWZAZLRFMRPY-UHFFFAOYSA-N
CanonicalSyTyLFy c18fd029f87c633f
TotalMolweight 137.185
Molecular Weight 137.185
MonoisotopicMass 137.095297
CLogP -0.6704
CLogS -1.17
H Acceptors 3
H Donors 2
TotalSurfaceArea 119.52
Relative PSA 0.31543
PolarSurfaceArea 50.94
Drug-likeness -3.3329
Mutagenic low
Tumorigenic high
Reproductive Effective low
Irritant none
Nasty Functions hydrazine
Shape Index 0.8
Molecula Flexibility 0.58162
Molecular Complexity 0.56664
Fragments 1
Non HAtoms 10
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 4
Symmetricatoms 2
Aromatic Nitrogens 1

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