Home Other Building Blocks Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, 3,4-dihydro-3-(methyl-d3)-4-oxo- (9CI)

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 Number:
AG002JHH
Molecular Formula:
C6H3D3N6O2
Molecular Weight:
197.1693
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥99% deuterated forms (d<sub>1</sub>-d<sub>3</sub>)
1 week
United States
$341
- +
5mg
≥99% deuterated forms (d<sub>1</sub>-d<sub>3</sub>)
1 week
United States
$1182
- +
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
MDL Number:
MFCD08063618
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  
Properties