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85998-08-9 | IMIDAZO[5,1-D]-1,2,3,5-TETRAZINE
CAS No: 85998-08-9 Catalog No: AG004M61 MDL No:
Product Description
Catalog Number:
AG004M61
Chemical Name:
IMIDAZO[5,1-D]-1,2,3,5-TETRAZINE
CAS Number:
85998-08-9
Molecular Formula:
C4H3N5
Molecular Weight:
121.1001
IUPAC Name:
imidazo[5,1-d][1,2,3,5]tetrazine
InChI:
InChI=1S/C4H3N5/c1-4-7-8-6-3-9(4)2-5-1/h1-3H
InChI Key:
UCAPTQYAIUPNNR-UHFFFAOYSA-N
SMILES:
n1ncn2c(n1)cnc2
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.039g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.103g/mol
Monoisotopic Mass:
121.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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