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28584-89-6 | Triimidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine, 2,3,6,7,10,11-hexahydro-
CAS No: 28584-89-6 Catalog No: AG002VQZ MDL No:
Product Description
Catalog Number:
AG002VQZ
Chemical Name:
Triimidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine, 2,3,6,7,10,11-hexahydro-
CAS Number:
28584-89-6
Molecular Formula:
C9H12N6
Molecular Weight:
204.2318
IUPAC Name:
1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,7,12-triene
InChI:
InChI=1S/C9H12N6/c1-4-13-7(10-1)14-5-2-12-9(14)15-6-3-11-8(13)15/h1-6H2
InChI Key:
KEJXVKYIGLPAHX-UHFFFAOYSA-N
SMILES:
C1Cn2c(=N1)n1CCN=c1n1c2=NCC1
NSC Number:
53040
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.112g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.237g/mol
Monoisotopic Mass:
204.112g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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