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113967-71-8 | [1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-amino-2-(methylthio)-
CAS No: 113967-71-8 Catalog No: AG000A7E MDL No:MFCD00067817
Product Description
Catalog Number:
AG000A7E
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-amino-2-(methylthio)-
CAS Number:
113967-71-8
Molecular Formula:
C7H7N5O2S
Molecular Weight:
225.2278
MDL Number:
MFCD00067817
IUPAC Name:
7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C7H7N5O2S/c1-15-7-10-6-9-2-3(5(13)14)4(8)12(6)11-7/h2H,8H2,1H3,(H,13,14)
InChI Key:
LGVRZGGAFXBZNJ-UHFFFAOYSA-N
SMILES:
CSc1nn2c(n1)ncc(c2N)C(=O)O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.226g/mol
Monoisotopic Mass:
225.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| 7-Amino-2-methylsulfanyl-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylic acid as the dimethylformamide and water monosolvates at 293 K. | Acta crystallographica. Section C, Crystal structure communications 20101001 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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