2-N-[(Z)-[4-[(Z)-[(4,6-diamino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine
Formula:C14H16N14
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
2-N-[(Z)-[4-[(Z)-[(4,6-diamino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.
| MolName | 2-N-[(Z)-[4-[(Z)-[(4,6-diamino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine |
| MolecularFormula | C14H16N14 |
| Smiles | Nc1nc(N/N=C\c2ccc(/C=N\Nc3nc(N)nc(N)n3)cc2)nc(N)n1 |
| InChI | InChI=1S/C14H16N14/c15-9-21-10(16)24-13(23-9)27-19-5-7-1-2-8(4-3-7)6-20-28-14-25-11(17)22-12(18)26-14/h1-6H,(H5,15,16,21,23,24,27)(H5,17,18,22,25,26,28) |
| InChIK | IDTQPZOXFGQLER-UHFFFAOYSA-N |
| TotalMolweight | 380.379 |
| Molweight | 380.379 |
| MonoisotopicMass | 380.168236 |
| CLogP | 4.1562 |
| CLogS | -5.358 |
| H Acceptors | 14 |
| H Donors | 6 |
| TotalSurfaceArea | 291.86 |
| Relative PSA | 0.5922 |
| PolarSurfaceArea | 230.2 |
| Druglikeness | 2.27 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 18 |
| Aromatic Nitrogens | 6 |
| BasicNitrogens | 6 |
| StereoCon |
Click to Load Molecule:
1 - 2-N-[(Z)-[4-[(Z)-[(4,6-diamino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine | 2 - 2-N-[(Z)-[4-[(Z)-[(4,6-diamino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine
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