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Compound Fr14042

CAT: 0931-Fr14042-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr14042-02Size:2 mg
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CAS Number
235-06-3
Bioactivity
Compound Fr14042, with CAS No. 235-06-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14042 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
c1nnc2ccc3ccccc3n12
Molecular Formula
C10H7N3
Molecular Weight
169.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

s-Triazolo[4,3-a]quinoline
CAS Number235-06-3
PubChem CID67477
IUPAC Name[1,2,4]triazolo[4,3-a]quinoline
Molecular FormulaC10H7N3
Molecular Weight169.18
XLogP2.5
Topological Polar Surface Area30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity195
SMILES
C1=CC=C2C(=C1)C=CC3=NN=CN32
InChI
InChI=1S/C10H7N3/c1-2-4-9-8(3-1)5-6-10-12-11-7-13(9)10/h1-7H
InChIKey
PIRYKGLQLCKQPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of s-Triazolo[4,3-a]quinoline
CAS: 235-06-3
CID: 67477
Formula: C10H7N3
MW: 169.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.18
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass169.063997236
Monoisotopic Mass169.063997236
Topological Polar Surface Area30.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity195
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr14052-01Compound Fr14052
Fr14045-01Compound Fr14045
Fr14142-01Compound Fr14142
Fr14046-01Compound Fr14046
Fr14022-01Compound Fr14022
Fr13042-01Compound Fr13042
Fr14342-01Compound Fr14342
Fr14024-01Compound Fr14024
Fr14049-01Compound Fr14049
Fr14402-01Compound Fr14402

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

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