| CID | 2187 |
|---|---|
| CAS | 120511-73-1 |
| InChI | InChI=1S/C17H19N5/c1-16(2, 9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3, 4)10-19/h5-7, 11-12H, 8H2, 1-4H3 |
| InChIKey | YBBLVLTVTVSKRW-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N |
| IUPAC Name | 2-[3-(2-cyanopropan-2-yl)-5-(1, 2, 4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile |
| Molecular Formula | C17H19N5 |
| Molecular Weight | 293.4 |
| Monoisotopic Mass | 293.16404563 |
| Polar Area | 78.3 |
| Complexity | 456 |
| XLogP | 2.1 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Physical Appearance | Clear Liquid |
| Stability | Room Temperature |
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