3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
Formula:C11H12N6O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide is a drug-like molecule.
| MolName | 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide |
| MolecularFormula | C11H12N6O3S |
| Smiles | O=C(CCNC(C(N1)=O)=NNC1=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C11H12N6O3S/c18-8(15-13-6-7-2-1-5-21-7)3-4-12-9-10(19)14-11(20)17-16-9/h1-2,5-6H,3-4H2,(H,12,16)(H,15,18)(H2,14,17,19,20) |
| InChIK | NHMCAMNSAGECTG-UHFFFAOYSA-N |
| TotalMolweight | 308.321 |
| Molweight | 308.321 |
| MonoisotopicMass | 308.069159 |
| CLogP | -0.3344 |
| CLogS | -3.216 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 230.04 |
| Relative PSA | 0.5579 |
| PolarSurfaceArea | 152.29 |
| Druglikeness | 8.3473 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide | 2 - 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
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