(1,2,3)Triazolo(1,5-a)pyridine

CAS Number: 274-59-9
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c1c(cccc2)n2nn1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C6H5N3
Molecular Weight
119.127
Drug-likeness
-2.8308
CAS
274-59-9
InChI key
AQWOIRBQLOOZGX-UHFFFAOYSA-N
SMILES
c1c(cccc2)n2nn1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 274-59-9
Molecule Name (1,2,3)Triazolo(1,5-a)pyridine
Molecular Formula C6H5N3
SMILES c1c(cccc2)n2nn1
InChI InChI=1S/C6H5N3/c1-2-4-9-6(3-1)5-7-8-9/h1-5H
InChI Key AQWOIRBQLOOZGX-UHFFFAOYSA-N
CanonicalSyTyLFy c31e4bb0a1c39475
TotalMolweight 119.127
Molecular Weight 119.127
MonoisotopicMass 119.048347
CLogP -0.0741
CLogS -1.377
H Acceptors 3
TotalSurfaceArea 96.03
Relative PSA 0.31126
PolarSurfaceArea 30.19
Drug-likeness -2.8308
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.55556
Molecular Complexity 0.73271
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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