2-((4-(Ethylamino)-6-methoxy-1,3,5-triazin-2-yl)amino)-2-methylpropiononitrile
PubChem CID: 89022
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| Compound Synonyms | 21725-68-8, EINECS 244-545-4, 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile, DTXSID20176115, 2-((4-(Ethylamino)-6-methoxy-1,3,5-triazin-2-yl)amino)-2-methylpropiononitrile, 2-((4-(Ethylamino)-6-methoxy-1,3,5-triazin-2-yl)amino)-2-methylpropanenitrile, 2-[[4-(ETHYLAMINO)-6-METHOXY-1,3,5-TRIAZIN-2-YL]AMINO]-2-METHYLPROPIONONITRILE, AGD8JKH847, DTXCID3098606, SHANRXMTBMPTMY-UHFFFAOYSA-N, NS00026949, 2-[[4-(Ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropionitrile, Propanenitrile, 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methyl-, 244-545-4 |
|---|---|
| Topological Polar Surface Area | 95.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C10H16N6O |
| Prediction Swissadme | 1.0 |
| Inchi Key | SHANRXMTBMPTMY-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.677 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.77 |
| Compound Name | 2-((4-(Ethylamino)-6-methoxy-1,3,5-triazin-2-yl)amino)-2-methylpropiononitrile |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 236.139 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.139 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 236.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6629062705882354 |
| Inchi | InChI=1S/C10H16N6O/c1-5-12-7-13-8(15-9(14-7)17-4)16-10(2,3)6-11/h5H2,1-4H3,(H2,12,13,14,15,16) |
| Smiles | CCNC1=NC(=NC(=N1)OC)NC(C)(C)C#N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Scabra (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lilium Pumilum (Plant) Rel Props:Source_db:cmaup_ingredients