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848892-90-0 | Imidazo[2,1-c][1,2,4]triazine-3,4-dione, 2,6,7,8-tetrahydro-8-phenyl-
CAS No: 848892-90-0 Catalog No: AG008FXH MDL No:MFCD11986647
Product Description
Catalog Number:
AG008FXH
Chemical Name:
Imidazo[2,1-c][1,2,4]triazine-3,4-dione, 2,6,7,8-tetrahydro-8-phenyl-
CAS Number:
848892-90-0
Molecular Formula:
C11H10N4O2
Molecular Weight:
230.2227
MDL Number:
MFCD11986647
IUPAC Name:
8-phenyl-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazine-3,4-dione
InChI:
InChI=1S/C11H10N4O2/c16-9-10(17)15-7-6-14(11(15)13-12-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,16)
InChI Key:
HHXMKBWNMAMAOR-UHFFFAOYSA-N
SMILES:
O=c1n2CCN(c2n[nH]c1=O)c1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.227g/mol
Monoisotopic Mass:
230.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Identification of antitumour activity of novel derivatives of 8-aryl-2,6,7,8-tetrahydroimidazo[2,1-c][1,2,4]triazine-3,4-dione and 8-aryl-4-imino-2,3,7,8-tetrahydroimidazo[2,1-c][1,2,4]triazin-3(6H)-one. | Bioorganic & medicinal chemistry 20070415 |
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