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Home > Imidazoles > 287964-59-4
287964-59-4 | Imidazo[5,1-c][1,2,4]triazine-8-carboxamide, 1,4-dihydro-3-nitro-4-oxo-
CAS No: 287964-59-4 Catalog No: AG002WIB MDL No:MFCD09263700
Product Description
Catalog Number:
AG002WIB
Chemical Name:
Imidazo[5,1-c][1,2,4]triazine-8-carboxamide, 1,4-dihydro-3-nitro-4-oxo-
CAS Number:
287964-59-4
Molecular Formula:
C6H4N6O4
Molecular Weight:
224.1338
MDL Number:
MFCD09263700
IUPAC Name:
3-nitro-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-8-carboxamide
InChI:
InChI=1S/C6H4N6O4/c7-3(13)2-4-9-10-5(12(15)16)6(14)11(4)1-8-2/h1,9H,(H2,7,13)
InChI Key:
UPMXYTFKFBVAEM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1n[nH]c2n(c1=O)cnc2C(=O)N
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.029g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.136g/mol
Monoisotopic Mass:
224.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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