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Home > Imidazoles > 13976-28-8
13976-28-8 | 7H-Imidazo[4,5-d]-1,2,3-triazine, 4-azido-
CAS No: 13976-28-8 Catalog No: AG001BOU MDL No:
Product Description
Catalog Number:
AG001BOU
Chemical Name:
7H-Imidazo[4,5-d]-1,2,3-triazine, 4-azido-
CAS Number:
13976-28-8
Molecular Formula:
C4H2N8
Molecular Weight:
162.1123
IUPAC Name:
4aH-imidazo[4,5-d]triazin-4-ylimino(imino)azanium
InChI:
InChI=1S/C4H3N8/c5-11-8-4-2-3(7-1-6-2)9-12-10-4/h1-2,5H/q+1
InChI Key:
HGYJYRMAEVMPJG-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1nnnc2c1nc[nH]2
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.048g/mol
Formal Charge:
1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.124g/mol
Monoisotopic Mass:
163.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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