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Compound FL0064

CAT: 0013-GTR19269695-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269695-04Size:25 mg
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Description
Compound FL0064, with CAS No. 1428960-81-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0064 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
1428960-81-9
Purity
99.56% (May vary between batches)
Smiles
CN (C1=NN=NN1C) C1=NC=C (Br) C=C1
Molecular Formula
C8H9BrN6
Molecular Weight
269.11
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-bromo-N-methyl-N-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)pyridin-2-amine
CAS Number1428960-81-9
PubChem CID86729993
IUPAC Name5-bromo-N-methyl-N-(1-methyltetrazol-5-yl)pyridin-2-amine
Molecular FormulaC8H9BrN6
Molecular Weight269.10
XLogP1.5
Topological Polar Surface Area59.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity215
SMILES
CN1C(=NN=N1)N(C)C2=NC=C(C=C2)Br
InChI
InChI=1S/C8H9BrN6/c1-14(8-11-12-13-15(8)2)7-4-3-6(9)5-10-7/h3-5H,1-2H3
InChIKey
IQFWMZPKKXTNEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-bromo-N-methyl-N-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)pyridin-2-amine
CAS: 1428960-81-9
CID: 86729993
Formula: C8H9BrN6
MW: 269.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.10
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass268.00721
Monoisotopic Mass268.00721
Topological Polar Surface Area59.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity215
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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