(2Z)-3-(4-amino-1,2,4-triazol-4-ium-1-yl)-2-hydroxyiminopropanenitrile
Formula:C5H7N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-3-(4-amino-1,2,4-triazol-4-ium-1-yl)-2-hydroxyiminopropanenitrile is a drug-like molecule.
| MolName | (2Z)-3-(4-amino-1,2,4-triazol-4-ium-1-yl)-2-hydroxyiminopropanenitrile |
| MolecularFormula | C5H7N6O |
| Smiles | N[n+]1cn(C/C(/C#N)=N/O)nc1 |
| InChI | InChI=1S/C5H6N6O/c6-1-5(9-12)2-11-4-10(7)3-8-11/h3-4H,2,7H2/p+1 |
| InChIK | RIPVBPGFTDCHDV-UHFFFAOYSA-O |
| TotalMolweight | 167.152 |
| Molweight | 167.152 |
| MonoisotopicMass | 167.068134 |
| CLogP | -1.9747 |
| CLogS | -3.594 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 131.83 |
| Relative PSA | 0.56163 |
| PolarSurfaceArea | 104.1 |
| Druglikeness | -1.5767 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (2Z)-3-(4-amino-1,2,4-triazol-4-ium-1-yl)-2-hydroxyiminopropanenitrile | 2 - (2Z)-3-(4-amino-1,2,4-triazol-4-ium-1-yl)-2-hydroxyiminopropanenitrile
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