(1Z)-1-nitro-N-(1H-1,2,4-triazol-5-ylamino)methanimidoyl cyanide
Formula:C4H3N7O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-1-nitro-N-(1H-1,2,4-triazol-5-ylamino)methanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-1-nitro-N-(1H-1,2,4-triazol-5-ylamino)methanimidoyl cyanide |
| MolecularFormula | C4H3N7O2 |
| Smiles | N#C/C(/[N+]([O-])=O)=N/Nc1ncn[nH]1 |
| InChI | InChI=1S/C4H3N7O2/c5-1-3(11(12)13)8-10-4-6-2-7-9-4/h2H,(H2,6,7,9,10) |
| InChIK | YFYWEONKXXAPCS-UHFFFAOYSA-N |
| TotalMolweight | 181.115 |
| Molweight | 181.115 |
| MonoisotopicMass | 181.034823 |
| CLogP | -0.4416 |
| CLogS | -1.464 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 140.16 |
| Relative PSA | 0.73402 |
| PolarSurfaceArea | 135.57 |
| Druglikeness | -7.2225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (1Z)-1-nitro-N-(1H-1,2,4-triazol-5-ylamino)methanimidoyl cyanide | 2 - (1Z)-1-nitro-N-(1H-1,2,4-triazol-5-ylamino)methanimidoyl cyanide
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