XI9
Summary
| Name: | (3M,4aR,5aR)-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole |
| Formula: | C8 H8 N6 |
| Formal charge: | 0 |
| Formula weight: | 188.189 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3M,4aR,5aR)-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole |
| OpenEye OEToolkits | 2.0.7 | (2~{R},4~{R})-7-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),7-diene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [NH]1nc(c2nnn[NH]2)c2CC3CC3c12 |
| InChI | InChI | 1.06 | InChI=1S/C8H8N6/c1-3-2-5-6(4(1)3)9-10-7(5)8-11-13-14-12-8/h3-4H,1-2H2,(H,9,10)(H,11,12,13,14)/t3-,4-/m1/s1 |
| InChIKey | InChI | 1.06 | DKSPRNJUDCWTID-QWWZWVQMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1[C@@H]2Cc3c([nH]nc3c4[nH]nnn4)[C@H]12 |
| SMILES | CACTVS | 3.385 | C1[CH]2Cc3c([nH]nc3c4[nH]nnn4)[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1c2c(n[nH]c2[C@H]3[C@@H]1C3)c4[nH]nnn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1c2c(n[nH]c2C3C1C3)c4[nH]nnn4 |
