2-[(Z)-[(2Z)-2-(5-aminotetrazol-2-yl)iminoethylidene]amino]tetrazol-5-amine
Formula:C4H6N12
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[(Z)-[(2Z)-2-(5-aminotetrazol-2-yl)iminoethylidene]amino]tetrazol-5-amine is not a drug-like molecule.
| MolName | 2-[(Z)-[(2Z)-2-(5-aminotetrazol-2-yl)iminoethylidene]amino]tetrazol-5-amine |
| MolecularFormula | C4H6N12 |
| Smiles | Nc1nn(/N=C\C=N/n2nnc(N)n2)nn1 |
| InChI | InChI=1S/C4H6N12/c5-3-9-13-15(11-3)7-1-2-8-16-12-4(6)10-14-16/h1-2H,(H2,5,11)(H2,6,12) |
| InChIK | KJECJSQXHBRCBT-UHFFFAOYSA-N |
| TotalMolweight | 222.176 |
| Molweight | 222.176 |
| MonoisotopicMass | 222.083838 |
| CLogP | -2.828 |
| CLogS | -1.1 |
| H Acceptors | 12 |
| H Donors | 2 |
| TotalSurfaceArea | 170.54 |
| Relative PSA | 0.78058 |
| PolarSurfaceArea | 163.96 |
| Druglikeness | -2.496 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 8 |
| StereoCon |
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1 - 2-[(Z)-[(2Z)-2-(5-aminotetrazol-2-yl)iminoethylidene]amino]tetrazol-5-amine | 2 - 2-[(Z)-[(2Z)-2-(5-aminotetrazol-2-yl)iminoethylidene]amino]tetrazol-5-amine
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