Theophylline, 7-allyl-8-hydrazino-
8-hydrazinyl-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
Also Known As: 7-Allyl-8-hydrazinotheophylline|Theophylline, 7-allyl-8-hydrazino-|Oprea1_523247|Oprea1_648702|BAS 02080956|7-ALLYL-8-HYDRAZINYLTHEOPHYLLINE|5-26-18-00548 (Beilstein Handbook Reference)|8-hydrazinyl-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione|SR-01000318340-1|7-allyl-8-hydrazino-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione|7-Allyl-8-hydrazino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione|7-allyl-8-hydrazinyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|8-hydrazinyl-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione|8-hydrazino-1,3-dimethyl-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione|1H-Purine-2,6-dione, 8-hydrazinyl-3,7-dihydro-1,3-dimethyl-7-(2-propen-1-yl)-
| Molecular Formula | C10H14N6O2 |
|---|---|
| Molecular Weight | 250.11783 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.11783 |
| Monoisotopic Mass | 250.11783 |
| Heavy Atoms | 18 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 56517-01-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN)CC=C |
| InChIKey | OATDFXSNOPGDBZ-UHFFFAOYSA-N |
Product Overview
Theophylline, 7-allyl-8-hydrazino- (CAS 56517-01-2), with molecular formula C10H14N6O2 and molecular weight 250.11783 g/mol. IUPAC: 8-hydrazinyl-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione.