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Home > Imidazoles > 257955-44-5
257955-44-5 | [1,2,4]Triazino[4,3-a]benzimidazol-4(1H)-one
CAS No: 257955-44-5 Catalog No: AG007LZ6 MDL No:
Product Description
Catalog Number:
AG007LZ6
Chemical Name:
[1,2,4]Triazino[4,3-a]benzimidazol-4(1H)-one
CAS Number:
257955-44-5
Molecular Formula:
C9H6N4O
Molecular Weight:
186.1701
IUPAC Name:
1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
InChI:
InChI=1S/C9H6N4O/c14-8-5-10-12-9-11-6-3-1-2-4-7(6)13(8)9/h1-5H,(H,11,12)
InChI Key:
UTTCYYFYTSCSMS-UHFFFAOYSA-N
SMILES:
O=c1cn[nH]c2n1c1ccccc1n2
NSC Number:
679204
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.174g/mol
Monoisotopic Mass:
186.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Geometrically constrained derivatives of indolylglyoxylamides as ligands binding the GABAA/BzR complex. | Current topics in medicinal chemistry 20120101 |
| 3-Aryl[1,2,4]triazino[4,3-a]benzimidazol-4(10H)-ones: a new class of selective A1 adenosine receptor antagonists. | Journal of medicinal chemistry 20010201 |
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