C9H8N6 — CID 19374802
2-(2H-tetrazol-5-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 19374802) has the molecular formula C9H8N6 and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-ylmethyl)imidazo[1,2-a]pyridine.
| Compound Name | 2-(2H-tetrazol-5-ylmethyl)imidazo[1,2-a]pyridine |
|---|---|
| PubChem CID | 19374802 |
| Molecular Formula | C9H8N6 |
| Molecular Weight | 200.21 g/mol |
| Exact Mass | 200.08 |
| IUPAC Name | 2-(2H-tetrazol-5-ylmethyl)imidazo[1,2-a]pyridine |
| SMILES | c1ccn2cc(Cc3nn[nH]n3)nc2c1 |
| InChI | InChI=1S/C9H8N6/c1-2-4-15-6-7(10-9(15)3-1)5-8-11-13-14-12-8/h1-4,6H,5H2,(H,11,12,13,14) |
| InChIKey | MNVBDIDUJYNGSV-UHFFFAOYSA-N |
| XLogP | 0.44 |
| TPSA | 71.76 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 15 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 200.21 |
| LogP ≤ 5 | 0.44 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |