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300861-04-5 | 1H-Imidazo[4,5-e]tetrazolo[1,5-b][1,2,4]triazine(9CI)
CAS No: 300861-04-5 Catalog No: AG007JKO MDL No:
Product Description
Catalog Number:
AG007JKO
Chemical Name:
1H-Imidazo[4,5-e]tetrazolo[1,5-b][1,2,4]triazine(9CI)
CAS Number:
300861-04-5
Molecular Formula:
C4H2N8
Molecular Weight:
162.1123
IUPAC Name:
1,2,4,6,8,10,11,12-octazatricyclo[7.3.0.03,7]dodeca-2,5,7,9,11-pentaene
InChI:
InChI=1S/C4H2N8/c1-5-2-3(6-1)9-12-4(7-2)8-10-11-12/h1H,(H,5,6,7,8,9,11)
InChI Key:
DNIJEEMHUGMVBR-UHFFFAOYSA-N
SMILES:
c1nc2c(n1)nc1n(n2)nn[nH]1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.116g/mol
Monoisotopic Mass:
162.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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