5,10-Diethoxy-2,3,7,8-tetrahydro-1H,6H-dipyrrolo[1,2-a:1',2'-d]pyrazine
PubChem CID: 551125
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| Compound Synonyms | 5,10-Diethoxy-2,3,7,8-tetrahydro-1H,6H-dipyrrolo[1,2-a:1',2'-d]pyrazine, SCHEMBL2558122, RYKFSYFFMUVWFK-UHFFFAOYSA-N, 5,10-Diethoxy-2,3,7,8-tetrahydro-1H,6H-dipyrrolo[1,2-a:1,2-d]pyrazine # |
|---|---|
| Topological Polar Surface Area | 24.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,8-diethoxy-1,7-diazatricyclo[7.3.0.03,7]dodeca-2,8-diene |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C14H22N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RYKFSYFFMUVWFK-UHFFFAOYSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -3.715 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.564 |
| Compound Name | 5,10-Diethoxy-2,3,7,8-tetrahydro-1H,6H-dipyrrolo[1,2-a:1',2'-d]pyrazine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 250.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.168 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 250.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4574203999999993 |
| Inchi | InChI=1S/C14H22N2O2/c1-3-17-13-11-7-5-10-16(11)14(18-4-2)12-8-6-9-15(12)13/h3-10H2,1-2H3 |
| Smiles | CCOC1=C2CCCN2C(=C3N1CCC3)OCC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Taraxacum Mongolicum (Plant) Rel Props:Source_db:cmaup_ingredients