N,N-bis(prop-2-enyl)-[1,2,4]triazino[5,6-c]quinolin-3-amine
Formula:C16H15N5
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
N,N-bis(prop-2-enyl)-[1,2,4]triazino[5,6-c]quinolin-3-amine is a drug-like molecule.
| MolName | N,N-bis(prop-2-enyl)-[1,2,4]triazino[5,6-c]quinolin-3-amine |
| MolecularFormula | C16H15N5 |
| Smiles | C=CCN(CC=C)c1nc2cnc(cccc3)c3c2nn1 |
| InChI | InChI=1S/C16H15N5/c1-3-9-21(10-4-2)16-18-14-11-17-13-8-6-5-7-12(13)15(14)19-20-16/h3-8,11H,1-2,9-10H2 |
| InChIK | WFNBJZBSMGYAMJ-UHFFFAOYSA-N |
| TotalMolweight | 277.33 |
| Molweight | 277.33 |
| MonoisotopicMass | 277.132745 |
| CLogP | 2.6392 |
| CLogS | -3.588 |
| H Acceptors | 5 |
| TotalSurfaceArea | 224.4 |
| Relative PSA | 0.21136 |
| PolarSurfaceArea | 54.8 |
| Druglikeness | -0.44416 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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