2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
Formula:C13H10N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine |
| MolecularFormula | C13H10N4 |
| Smiles | C(c1nn(cccn2)c2n1)=C/c1ccccc1 |
| InChI | InChI=1S/C13H10N4/c1-2-5-11(6-3-1)7-8-12-15-13-14-9-4-10-17(13)16-12/h1-10H |
| InChIK | JRGAGMBPEBIZGY-UHFFFAOYSA-N |
| TotalMolweight | 222.25 |
| Molweight | 222.25 |
| MonoisotopicMass | 222.090546 |
| CLogP | 1.3558 |
| CLogS | -0.752 |
| H Acceptors | 4 |
| TotalSurfaceArea | 181.05 |
| Relative PSA | 0.22568 |
| PolarSurfaceArea | 43.08 |
| Druglikeness | 3.5305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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1 - 2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine | 2 - 2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
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