4-chloro-5H-imidazo[4,5-d]triazine
Formula:C4H2N5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-5H-imidazo[4,5-d]triazine is a drug-like molecule.
| MolName | 4-chloro-5H-imidazo[4,5-d]triazine |
| MolecularFormula | C4H2N5Cl |
| Smiles | Clc1nnnc2c1[nH]cn2 |
| InChI | InChI=1S/C4H2ClN5/c5-3-2-4(7-1-6-2)9-10-8-3/h1H,(H,6,7,8,9) |
| InChIK | DLGUQJMHVBPJQD-UHFFFAOYSA-N |
| TotalMolweight | 155.548 |
| Molweight | 155.548 |
| MonoisotopicMass | 154.999872 |
| CLogP | 0.0613 |
| CLogS | -1.914 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 107.89 |
| Relative PSA | 0.53638 |
| PolarSurfaceArea | 67.35 |
| Druglikeness | 0.12213 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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