7-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Formula:C11H9N5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is a drug-like molecule.
| MolName | 7-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine |
| MolecularFormula | C11H9N5S |
| Smiles | Nc1nn2c(/C=C/c3cccs3)ccnc2n1 |
| InChI | InChI=1S/C11H9N5S/c12-10-14-11-13-6-5-8(16(11)15-10)3-4-9-2-1-7-17-9/h1-7H,(H2,12,15) |
| InChIK | LNGIJABQYBEVQT-UHFFFAOYSA-N |
| TotalMolweight | 243.293 |
| Molweight | 243.293 |
| MonoisotopicMass | 243.057865 |
| CLogP | 1.0791 |
| CLogS | -1.849 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 185.51 |
| Relative PSA | 0.41232 |
| PolarSurfaceArea | 97.34 |
| Druglikeness | 5.4167 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 7-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine | 2 - 7-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
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