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79569-28-1 | 1H,6H-Azeto[2',1':2,3]imidazo[1,5-c][1,2,3]triazole(9CI)
CAS No: 79569-28-1 Catalog No: AG00585E MDL No:
Product Description
Catalog Number:
AG00585E
Chemical Name:
1H,6H-Azeto[2',1':2,3]imidazo[1,5-c][1,2,3]triazole(9CI)
CAS Number:
79569-28-1
Molecular Formula:
C6H6N4
Molecular Weight:
134.1386
IUPAC Name:
1,5,9,10-tetrazatricyclo[5.3.0.02,5]deca-2,6,8-triene
InChI:
InChI=1S/C6H6N4/c1-2-9-4-5-3-7-8-10(5)6(1)9/h1,3-4,8H,2H2
InChI Key:
XZGCIKIRUWRDCG-UHFFFAOYSA-N
SMILES:
n1[nH]n2c(c1)cn1c2=CC1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.142g/mol
Monoisotopic Mass:
134.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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