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13717-81-2 | 1,2,4,5-Tetrazine, 1,6-dihydro-3,6-dimethyl-
CAS No: 13717-81-2 Catalog No: AG0012WO MDL No:
Product Description
Catalog Number:
AG0012WO
Chemical Name:
1,2,4,5-Tetrazine, 1,6-dihydro-3,6-dimethyl-
CAS Number:
13717-81-2
Molecular Formula:
C4H8N4
Molecular Weight:
112.1331
IUPAC Name:
3,6-dimethyl-1,6-dihydro-1,2,4,5-tetrazine
InChI:
InChI=1S/C4H8N4/c1-3-5-7-4(2)8-6-3/h3,5H,1-2H3
InChI Key:
LKQNEFXKCOFFCO-UHFFFAOYSA-N
SMILES:
CC1NN=C(N=N1)C
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.075g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.136g/mol
Monoisotopic Mass:
112.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Synthesis and antitumor activity of s-tetrazine derivatives. | Bioorganic & medicinal chemistry letters 20040308 |
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