1,4-Dinitropiperazine
PubChem CID: 20124
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,4-Dinitropiperazine, N,N-Dinitropiperazine, 4164-37-8, PIPERAZINE, 1,4-DINITRO-, N,N'-Dinitropiperazine, 1,4-Dinitro-1,4-diazacyclohexane, EINECS 224-010-1, NSC 116254, BRN 0181941, AI3-00500, DTXSID00194458, 5-23-03-00226 (Beilstein Handbook Reference), NSC116254, Piperazine,4-dinitro-, 1,4-Dinitro-piperazine, SCHEMBL251934, DTXCID10116949, AKOS006275351, NSC-116254, DB-050787, NS00031027, 224-010-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 98.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | [O-][N+]=O)NCCNCC6))[N+]=O)[O-] |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Diazinanes |
| Scaffold Graph Node Level | C1CNCCN1 |
| Classyfire Subclass | Piperazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-dinitropiperazine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H8N4O4 |
| Scaffold Graph Node Bond Level | C1CNCCN1 |
| Inchi Key | GSUMZAMXDRIYCL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | n,n-dinitropiperazine |
| Esol Class | Very soluble |
| Functional Groups | CN(C)[N+](=O)[O-] |
| Compound Name | 1,4-Dinitropiperazine |
| Exact Mass | 176.055 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 176.055 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 176.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H8N4O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H2 |
| Smiles | C1CN(CCN1[N+](=O)[O-])[N+](=O)[O-] |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Marsilea Quadrifolia (Plant) Rel Props:Reference:ISBN:9770972795006