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Home > Imidazoles > 121771-99-1
121771-99-1 | Imidazo[5,1-d]-1,2,3,5-tetrazin-4(3H)-one
CAS No: 121771-99-1 Catalog No: AG0015XE MDL No:
Product Description
Catalog Number:
AG0015XE
Chemical Name:
Imidazo[5,1-d]-1,2,3,5-tetrazin-4(3H)-one
CAS Number:
121771-99-1
Molecular Formula:
C4H3N5O
Molecular Weight:
137.0995
IUPAC Name:
3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one
InChI:
InChI=1S/C4H3N5O/c10-4-7-8-6-3-1-5-2-9(3)4/h1-2H,(H,6,7,10)
InChI Key:
DXVWMLQMDGMWEQ-UHFFFAOYSA-N
SMILES:
O=c1[nH]nnc2n1cnc2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.034g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.102g/mol
Monoisotopic Mass:
137.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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