4-azido-5H-imidazo[4,5-d]triazine
Formula:C4H2N8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-azido-5H-imidazo[4,5-d]triazine is a drug-like molecule.
| MolName | 4-azido-5H-imidazo[4,5-d]triazine |
| MolecularFormula | C4H2N8 |
| Smiles | [N-]=[N+]=Nc1nnnc2c1[nH]cn2 |
| InChI | InChI=1S/C4H2N8/c5-11-8-4-2-3(7-1-6-2)9-12-10-4/h1H,(H,6,7,9,10) |
| InChIK | ZYGMRNNISQAQIC-UHFFFAOYSA-N |
| TotalMolweight | 162.116 |
| Molweight | 162.116 |
| MonoisotopicMass | 162.040242 |
| CLogP | -0.0194 |
| CLogS | -2.643 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 123.11 |
| Relative PSA | 0.77378 |
| PolarSurfaceArea | 93.31 |
| Druglikeness | -1.2808 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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