200,000+ products from a single source!
sales@angenechem.com
113942-30-6 | Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxylic acid, 3,4-dihydro-3-methyl-4-oxo-
CAS No: 113942-30-6 Catalog No: AG000A4I MDL No:MFCD12032160
Product Description
Catalog Number:
AG000A4I
Chemical Name:
Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxylic acid, 3,4-dihydro-3-methyl-4-oxo-
CAS Number:
113942-30-6
Molecular Formula:
C6H5N5O3
Molecular Weight:
195.1356
MDL Number:
MFCD12032160
IUPAC Name:
3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid
InChI:
InChI=1S/C6H5N5O3/c1-10-6(14)11-2-7-3(5(12)13)4(11)8-9-10/h2H,1H3,(H,12,13)
InChI Key:
VVTMIOYTNALQAW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncn2c1nnn(c2=O)C
UNII:
M35A7FW55W
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.039g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.138g/mol
Monoisotopic Mass:
195.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and antitumor activity of 3-methyl-4-oxo-3,4-dihydroimidazo [5,1-d][1,2,3,5]tetrazine-8-carboxylates and -carboxamides. | Molecules (Basel, Switzerland) 20101220 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.