N-[(Z)-naphthalen-2-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C22H25N7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-naphthalen-2-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-naphthalen-2-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C22H25N7 |
| Smiles | C(CC1)CN1c1nc(N/N=C\c2cc3ccccc3cc2)nc(N2CCCC2)n1 |
| InChI | InChI=1S/C22H25N7/c1-2-8-19-15-17(9-10-18(19)7-1)16-23-27-20-24-21(28-11-3-4-12-28)26-22(25-20)29-13-5-6-14-29/h1-2,7-10,15-16H,3-6,11-14H2,(H,24,25,26,27) |
| InChIK | OHGZPIXZLVDECG-UHFFFAOYSA-N |
| TotalMolweight | 387.49 |
| Molweight | 387.49 |
| MonoisotopicMass | 387.217143 |
| CLogP | 6.4389 |
| CLogS | -6.385 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 303.8 |
| Relative PSA | 0.20731 |
| PolarSurfaceArea | 69.54 |
| Druglikeness | 4.2501 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 9 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-naphthalen-2-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-naphthalen-2-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
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