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13717-88-9 | 1,2,4,5-Tetrazine, 1,6-dihydro-3,6-dipropyl-
CAS No: 13717-88-9 Catalog No: AG0012WM MDL No:
Product Description
Catalog Number:
AG0012WM
Chemical Name:
1,2,4,5-Tetrazine, 1,6-dihydro-3,6-dipropyl-
CAS Number:
13717-88-9
Molecular Formula:
C8H16N4
Molecular Weight:
168.2394
IUPAC Name:
3,6-dipropyl-1,6-dihydro-1,2,4,5-tetrazine
InChI:
InChI=1S/C8H16N4/c1-3-5-7-9-11-8(6-4-2)12-10-7/h7,9H,3-6H2,1-2H3
InChI Key:
XYUWRWCXXJTBOO-UHFFFAOYSA-N
SMILES:
CCCC1NN=C(N=N1)CCC
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.137g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.244g/mol
Monoisotopic Mass:
168.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and antitumor activity of s-tetrazine derivatives. | Bioorganic & medicinal chemistry letters 20040308 |
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