3-[(2-chlorophenyl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]triazolo[4,5-d]pyrimidin-7-amine
Formula:C17H13N8Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2-chlorophenyl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]triazolo[4,5-d]pyrimidin-7-amine is a drug-like molecule.
| MolName | 3-[(2-chlorophenyl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]triazolo[4,5-d]pyrimidin-7-amine |
| MolecularFormula | C17H13N8Cl |
| Smiles | Clc1c(Cn2nnc3c(N/N=C\c4cnccc4)ncnc23)cccc1 |
| InChI | InChI=1S/C17H13ClN8/c18-14-6-2-1-5-13(14)10-26-17-15(23-25-26)16(20-11-21-17)24-22-9-12-4-3-7-19-8-12/h1-9,11H,10H2,(H,20,21,24) |
| InChIK | OVEAEHBWNICLGE-UHFFFAOYSA-N |
| TotalMolweight | 364.799 |
| Molweight | 364.799 |
| MonoisotopicMass | 364.095169 |
| CLogP | 4.0219 |
| CLogS | -4.398 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 275.78 |
| Relative PSA | 0.30709 |
| PolarSurfaceArea | 93.77 |
| Druglikeness | -0.63352 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 6 |
| StereoCon |
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1 - 3-[(2-chlorophenyl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]triazolo[4,5-d]pyrimidin-7-amine | 2 - 3-[(2-chlorophenyl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]triazolo[4,5-d]pyrimidin-7-amine
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