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208107-14-6 | Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, 3,4-dihydro-3-(methyl-d3)-4-oxo- (9CI)
CAS No: 208107-14-6 Catalog No: AG002JHH MDL No:
Product Description
Catalog Number:
AG002JHH
Chemical Name:
Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, 3,4-dihydro-3-(methyl-d3)-4-oxo- (9CI)
CAS Number:
208107-14-6
Molecular Formula:
C6H3D3N6O2
Molecular Weight:
197.1693
IUPAC Name:
4-oxo-3-(trideuteriomethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
InChI:
InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)/i1D3
InChI Key:
BPEGJWRSRHCHSN-FIBGUPNXSA-N
SMILES:
NC(=O)c1ncn2c1nnn(c2=O)C([2H])([2H])[2H]
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
3
Molecular Weight:
197.172g/mol
Monoisotopic Mass:
197.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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