2-Hexyl-1,6,11-triazatricyclo[7.3.0.02,6]dodeca-9,11-dien-5-one
PubChem CID: 10923312
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | NSC809322, NSC-809322 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2C1CCC1CCCC12 |
| Np Classifier Class | Imidazole alkaloids |
| Deep Smiles | CCCCCCCCCC=O)N5CCcn9cnc5 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Azoles |
| Scaffold Graph Node Level | OC1CCC2N1CCC1CNCN12 |
| Classyfire Subclass | Imidazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 346.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hexyl-1,6,11-triazatricyclo[7.3.0.02,6]dodeca-9,11-dien-5-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H23N3O |
| Scaffold Graph Node Bond Level | O=C1CCC2N1CCc1cncn12 |
| Inchi Key | UQSZEARLICPLFX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | glochidine[1up-1,20(29)-dien-3-one] |
| Esol Class | Soluble |
| Functional Groups | CC(=O)N(C)C, cn(c)C, cnc |
| Compound Name | 2-Hexyl-1,6,11-triazatricyclo[7.3.0.02,6]dodeca-9,11-dien-5-one |
| Exact Mass | 261.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 261.184 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 261.36 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H23N3O/c1-2-3-4-5-8-15-9-6-14(19)17(15)10-7-13-11-16-12-18(13)15/h11-12H,2-10H2,1H3 |
| Smiles | CCCCCCC12CCC(=O)N1CCC3=CN=CN23 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Histidine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Sauropus Bacciformis (Plant) Rel Props:Reference:ISBN:9770972795006