7-[(E)-2-(4-chlorophenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
Formula:C13H9N4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-[(E)-2-(4-chlorophenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is a drug-like molecule.
| MolName | 7-[(E)-2-(4-chlorophenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine |
| MolecularFormula | C13H9N4Cl |
| Smiles | Clc1ccc(/C=C/c2ccnc3ncnn23)cc1 |
| InChI | InChI=1S/C13H9ClN4/c14-11-4-1-10(2-5-11)3-6-12-7-8-15-13-16-9-17-18(12)13/h1-9H |
| InChIK | GPYFLUVNJMXNSA-UHFFFAOYSA-N |
| TotalMolweight | 256.695 |
| Molweight | 256.695 |
| MonoisotopicMass | 256.051573 |
| CLogP | 2.1263 |
| CLogS | -2.228 |
| H Acceptors | 4 |
| TotalSurfaceArea | 196.47 |
| Relative PSA | 0.20797 |
| PolarSurfaceArea | 43.08 |
| Druglikeness | 4.3672 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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