2-(Hydrazinylmethyl)pyrazine--hydrogen chloride (1/1)

CAS Number: 1263285-94-4
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NNCc1nccnc1.Cl
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: none
Formula
HCl.C5H8N4
Molecular Weight
124.147
Drug-likeness
-3.6539
CAS
1263285-94-4
InChI key
SDVHGHBNLLVKPQ-UHFFFAOYSA-N
SMILES
NNCc1nccnc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 1263285-94-4
Molecule Name 2-(Hydrazinylmethyl)pyrazine--hydrogen chloride (1/1)
Molecular Formula HCl.C5H8N4
SMILES NNCc1nccnc1.Cl
InChI InChI=1S/C5H8N4.ClH/c6-9-4-5-3-7-1-2-8-5;/h1-3,9H,4,6H2;1H
InChI Key SDVHGHBNLLVKPQ-UHFFFAOYSA-N
CanonicalSyTyLFy 19f71d4961e24e82
TotalMolweight 160.607
Molecular Weight 124.147
MonoisotopicMass 124.074896
CLogP -2.0474
CLogS -0.287
H Acceptors 4
H Donors 2
TotalSurfaceArea 104.52
Relative PSA 0.46565
PolarSurfaceArea 63.83
Drug-likeness -3.6539
Mutagenic low
Tumorigenic high
Reproductive Effective low
Irritant none
Nasty Functions hydrazine
Shape Index 0.77778
Molecula Flexibility 0.56689
Molecular Complexity 0.64124
Fragments 2
Non HAtoms 9
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 3
Aromatic Nitrogens 2

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