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21829-78-7 | [1,2,4]Triazino[4,5-a]benzimidazole(9CI)
CAS No: 21829-78-7 Catalog No: AG007P2Y MDL No:
Product Description
Catalog Number:
AG007P2Y
Chemical Name:
[1,2,4]Triazino[4,5-a]benzimidazole(9CI)
CAS Number:
21829-78-7
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
IUPAC Name:
[1,2,4]triazino[4,5-a]benzimidazole
InChI:
InChI=1S/C9H6N4/c1-2-4-8-7(3-1)12-9-5-10-11-6-13(8)9/h1-6H
InChI Key:
WEVWYNVWMGZWDR-UHFFFAOYSA-N
SMILES:
n1ncn2c(c1)nc1c2cccc1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis, antitumor activity and SAR study of novel [1,2,4]triazino[4,5-a]benzimidazole derivatives. | European journal of medicinal chemistry 20120701 |
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