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85555-12-0 | 1H,7H-Azeto[1',2':3,4]imidazo[1,5-c][1,2,3]triazole(9CI)
CAS No: 85555-12-0 Catalog No: AG008HG0 MDL No:
Product Description
Catalog Number:
AG008HG0
Chemical Name:
1H,7H-Azeto[1',2':3,4]imidazo[1,5-c][1,2,3]triazole(9CI)
CAS Number:
85555-12-0
Molecular Formula:
C6H6N4
Molecular Weight:
134.1386
IUPAC Name:
5,7,8,9-tetrazatricyclo[5.3.0.02,5]deca-1,3,9-triene
InChI:
InChI=1S/C6H6N4/c1-2-9-4-10-6(5(1)9)3-7-8-10/h1-3,8H,4H2
InChI Key:
XLEDDUJXCDPHMK-UHFFFAOYSA-N
SMILES:
C1N2C=CC2=c2n1[nH]nc2
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:
0.8
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