1-(diaminomethylidene)-2-(1,2,4-triazol-4-yl)guanidine
Formula:C4H8N8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(diaminomethylidene)-2-(1,2,4-triazol-4-yl)guanidine is a drug-like molecule.
| MolName | 1-(diaminomethylidene)-2-(1,2,4-triazol-4-yl)guanidine |
| MolecularFormula | C4H8N8 |
| Smiles | NC(N)=N/C(/N)=N/n1cnnc1 |
| InChI | InChI=1S/C4H8N8/c5-3(6)10-4(7)11-12-1-8-9-2-12/h1-2H,(H6,5,6,7,10,11) |
| InChIK | IITIVHBFMGFDKN-UHFFFAOYSA-N |
| TotalMolweight | 168.164 |
| Molweight | 168.164 |
| MonoisotopicMass | 168.087192 |
| CLogP | -2.1234 |
| CLogS | -3.769 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 131.48 |
| Relative PSA | 0.74262 |
| PolarSurfaceArea | 133.49 |
| Druglikeness | 2.7768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 1-(diaminomethylidene)-2-(1,2,4-triazol-4-yl)guanidine | 2 - 1-(diaminomethylidene)-2-(1,2,4-triazol-4-yl)guanidine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off