7-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
Formula:C11H8N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is a drug-like molecule.
| MolName | 7-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine |
| MolecularFormula | C11H8N4S |
| Smiles | C(c1cccs1)=C/c1ccnc2ncnn12 |
| InChI | InChI=1S/C11H8N4S/c1-2-10(16-7-1)4-3-9-5-6-12-11-13-8-14-15(9)11/h1-8H |
| InChIK | FBUFJJIQNGUTGX-UHFFFAOYSA-N |
| TotalMolweight | 228.279 |
| Molweight | 228.279 |
| MonoisotopicMass | 228.046966 |
| CLogP | 1.3869 |
| CLogS | -1.502 |
| H Acceptors | 4 |
| TotalSurfaceArea | 176.99 |
| Relative PSA | 0.3459 |
| PolarSurfaceArea | 71.32 |
| Druglikeness | 5.6793 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 7-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine | 2 - 7-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
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