N-[(Z)-pyridin-4-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C17H22N8
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-pyridin-4-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-pyridin-4-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C17H22N8 |
| Smiles | C(CC1)CN1c1nc(N/N=C\c2ccncc2)nc(N2CCCC2)n1 |
| InChI | InChI=1S/C17H22N8/c1-2-10-24(9-1)16-20-15(21-17(22-16)25-11-3-4-12-25)23-19-13-14-5-7-18-8-6-14/h5-8,13H,1-4,9-12H2,(H,20,21,22,23) |
| InChIK | IXGIMIGXZOLWEU-UHFFFAOYSA-N |
| TotalMolweight | 338.418 |
| Molweight | 338.418 |
| MonoisotopicMass | 338.196742 |
| CLogP | 4.2436 |
| CLogS | -3.984 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 267.96 |
| Relative PSA | 0.27597 |
| PolarSurfaceArea | 82.43 |
| Druglikeness | 4.2501 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-pyridin-4-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-pyridin-4-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
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