N,N'-bis(1H-1,2,4-triazol-5-yl)methanimidamide
Formula:C5H6N8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N'-bis(1H-1,2,4-triazol-5-yl)methanimidamide is a drug-like molecule.
| MolName | N,N'-bis(1H-1,2,4-triazol-5-yl)methanimidamide |
| MolecularFormula | C5H6N8 |
| Smiles | C(Nc1ncn[nH]1)=N\c1ncn[nH]1 |
| InChI | InChI=1S/C5H6N8/c1(6-4-8-2-10-12-4)7-5-9-3-11-13-5/h1-3H,(H3,6,7,8,9,10,11,12,13) |
| InChIK | GYILYOVPWCLOJW-UHFFFAOYSA-N |
| TotalMolweight | 178.159 |
| Molweight | 178.159 |
| MonoisotopicMass | 178.071542 |
| CLogP | -1.2882 |
| CLogS | -1.787 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 143.42 |
| Relative PSA | 0.6612 |
| PolarSurfaceArea | 107.53 |
| Druglikeness | 2.6841 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Aromatic Nitrogens | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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