| CAS Number | 1374996-60-7 |
| Catalog Number | AG009G9R(AGN-PC-0WP22B) |
| Chemical Name | 6H-Indeno[1,2-e]tetrazolo[1,5-b][1,2,4]triazin-6-one |
| IUPAC Name | 10,11,12,13,14,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,12,14-heptaen-8-one;10,12,13,14,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one |
| InChI | InChI=1S/2C10H4N6O/c17-9-6-4-2-1-3-5(6)7-8(9)11-10-12-14-15-16(10)13-7;17-9-6-4-2-1-3-5(6)7-8(9)13-16-10(11-7)12-14-15-16/h2*1-4H |
| InChI Key | CWFOAASSUQIXOW-UHFFFAOYSA-N |
| MDL Number | MFCD19705529 |
| Molecular Formula | C20H8N12O2 |
| Molecular Weight | 448.3567 |
| SMILES | O=C(C1=C2C=CC=C1)C(C2=N3)=NN4C3=NN=N4.O=C5C6=NC7=NN=NN7N=C6C8=C5C=CC=C8 |
| Synonyms | 1374996-60-7,
6H-Indeno[1,2-e]tetrazolo[1,5-b][1,2,4]triazin-6-one,
CWFOAASSUQIXOW-UHFFFAOYSA-N,
KP372-1,
|
| Complexity | 699 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 448.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 448.366g/mol |
| Monoisotopic Mass | 448.089g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 172A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number