Nostocine A
PubChem CID: 10749358
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| Compound Synonyms | Nostocine A, 7-Methyl-2H-pyrazolo[4,3-e][1,2,4]triazin-3-one, 7-methyl-2H-pyrazolo(4,3-e)(1,2,4)triazin-3-one, CHEMBL4286526 |
|---|---|
| Topological Polar Surface Area | 69.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 302.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methyl-2H-pyrazolo[4,3-e][1,2,4]triazin-3-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Molecular Formula | C5H5N5O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VRDQYUNDHHXYJA-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -0.676 |
| Rotatable Bond Count | 0.0 |
| Logd | -1.241 |
| Compound Name | Nostocine A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 151.049 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 151.049 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 151.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9036543454545455 |
| Inchi | InChI=1S/C5H5N5O/c1-10-4-3(6-2-7-10)5(11)9-8-4/h2H,1H3,(H,9,11) |
| Smiles | CN1C2=NNC(=O)C2=NC=N1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ajuga Nipponensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eriobotrya Deflexa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Grevillea Robusta (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Neurolaena Lobata (Plant) Rel Props:Source_db:cmaup_ingredients