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Compound FL0007

CAT: 0013-GTR19269676-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269676-02Size:5 mg
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Description
Compound FL0007, with CAS No. 676491-46-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0007 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.
CAS Number
676491-46-6
Purity
97.42% (May vary between batches)
Smiles
COc1cnc (-n2cnc (C) n2) c2[nH]ccc12
Molecular Formula
C11H11N5O
Molecular Weight
229.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine
CAS Number676491-46-6
PubChem CID15987014
IUPAC Name4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine
Molecular FormulaC11H11N5O
Molecular Weight229.24
XLogP1.4
Topological Polar Surface Area68.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity277
SMILES
CC1=NN(C=N1)C2=NC=C(C3=C2NC=C3)OC
InChI
InChI=1S/C11H11N5O/c1-7-14-6-16(15-7)11-10-8(3-4-12-10)9(17-2)5-13-11/h3-6,12H,1-2H3
InChIKey
UDEUJLHVKKTHFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine
CAS: 676491-46-6
CID: 15987014
Formula: C11H11N5O
MW: 229.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.24
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass229.09635999
Monoisotopic Mass229.09635999
Topological Polar Surface Area68.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity277
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

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