(1Z)-N'-(Pyridin-2-yl)ethanimidamide

CAS Number: 56536-36-8
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C/C(/N)=N/c1ncccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H9N3
Molecular Weight
135.169
Drug-likeness
-1.102
CAS
56536-36-8
InChI key
RYWVTNFFXJXLOX-UHFFFAOYSA-N
SMILES
C/C(/N)=N/c1ncccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 56536-36-8
Molecule Name (1Z)-N'-(Pyridin-2-yl)ethanimidamide
Molecular Formula C7H9N3
SMILES C/C(/N)=N/c1ncccc1
InChI InChI=1S/C7H9N3/c1-6(8)10-7-4-2-3-5-9-7/h2-5H,1H3,(H2,8,9,10)
InChI Key RYWVTNFFXJXLOX-UHFFFAOYSA-N
CanonicalSyTyLFy 1a5c20a69ad584e7
TotalMolweight 135.169
Molecular Weight 135.169
MonoisotopicMass 135.079647
CLogP 0.0941
CLogS -1.483
H Acceptors 3
H Donors 1
TotalSurfaceArea 115.77
Relative PSA 0.32608
PolarSurfaceArea 51.27
Drug-likeness -1.102
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.7
Molecula Flexibility 0.090852
Molecular Complexity 0.6089
Fragments 1
Non HAtoms 10
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1
Aromatic Nitrogens 1
BasicNitrogens 1

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