(2E)-2-Hydrazinylidenepyridin-1(2H)-ol

CAS Number: 951793-84-3
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N/N=C(\C=CC=C1)/N1O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C5H7N3O
Molecular Weight
125.131
Drug-likeness
-1.5195
CAS
951793-84-3
InChI key
CYDAYTLXUMDUGH-UHFFFAOYSA-N
SMILES
N/N=C(\C=CC=C1)/N1O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 951793-84-3
Molecule Name (2E)-2-Hydrazinylidenepyridin-1(2H)-ol
Molecular Formula C5H7N3O
SMILES N/N=C(\C=CC=C1)/N1O
InChI InChI=1S/C5H7N3O/c6-7-5-3-1-2-4-8(5)9/h1-4,9H,6H2
InChI Key CYDAYTLXUMDUGH-UHFFFAOYSA-N
CanonicalSyTyLFy 3fc64c821d998d78
TotalMolweight 125.131
Molecular Weight 125.131
MonoisotopicMass 125.058912
CLogP -1.051
CLogS -1.334
H Acceptors 4
H Donors 2
TotalSurfaceArea 101.14
Relative PSA 0.4294
PolarSurfaceArea 61.85
Drug-likeness -1.5195
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.21847
Molecular Complexity 0.74893
Fragments 1
Non HAtoms 9
NonCHAtoms 4
Electronegative Atoms 4
Rings Closures 1
Small Rings 1
Sp3Atoms 2
BasicNitrogens 1

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