(1,2,4)Triazolo(1,5-a)pyridine

CAS Number: 274-85-1
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c1nn(cccc2)c2n1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C6H5N3
Molecular Weight
119.127
Drug-likeness
2.9845
CAS
274-85-1
InChI key
DACWQSNZECJJGG-UHFFFAOYSA-N
SMILES
c1nn(cccc2)c2n1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 274-85-1
Molecule Name (1,2,4)Triazolo(1,5-a)pyridine
Molecular Formula C6H5N3
SMILES c1nn(cccc2)c2n1
InChI InChI=1S/C6H5N3/c1-2-4-9-6(3-1)7-5-8-9/h1-5H
InChI Key DACWQSNZECJJGG-UHFFFAOYSA-N
CanonicalSyTyLFy 87994c28efea19d8
TotalMolweight 119.127
Molecular Weight 119.127
MonoisotopicMass 119.048347
CLogP 9.00E-04
CLogS -2.024
H Acceptors 3
TotalSurfaceArea 96.03
Relative PSA 0.31126
PolarSurfaceArea 30.19
Drug-likeness 2.9845
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.55556
Molecular Complexity 0.73778
Fragments 1
Non HAtoms 9
NonCHAtoms 3
Electronegative Atoms 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Aromatic Nitrogens 3

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