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Compound FL0130

CAT: 0013-GTR19269719-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269719-01Size:1 mg
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Description
Compound FL0130, with CAS No. 55457-17-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0130 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
55457-17-5
Purity
99.99% (May vary between batches)
Smiles
Cc1nc (=O) n2nccc2[nH]1
Molecular Formula
C6H6N4O
Molecular Weight
150.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-methyl-1H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CAS Number55457-17-5
PubChem CID135519297
IUPAC Name2-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
Molecular FormulaC6H6N4O
Molecular Weight150.14
XLogP-0.2
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity225
SMILES
CC1=NC2=CC=NN2C(=O)N1
InChI
InChI=1S/C6H6N4O/c1-4-8-5-2-3-7-10(5)6(11)9-4/h2-3H,1H3,(H,8,9,11)
InChIKey
HXEKFHWAIWTJQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-methyl-1H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CAS: 55457-17-5
CID: 135519297
Formula: C6H6N4O
MW: 150.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.14
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass150.05416083
Monoisotopic Mass150.05416083
Topological Polar Surface Area59.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity225
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
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GTR19269721-01Compound FL0134
GTR19269711-01Compound FL0120
GTR19269723-01Compound FL0138
GTR19269742-01Compound FL0190
GTR19269720-01Compound FL0133
GTR19269741-01Compound FL0188
GTR19269734-01Compound FL0172

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CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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