Basic information
- CAS
88552-69-6- Standard SMILES
Cn1c(=O)c2[nH]c(NN)nc2n(C)c1=O- InChIKey
VDUMLSGFIWJPIK-UHFFFAOYSA-N- Molecular formula
- C7H10N6O2
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.08652358
Names & identifiers
- Preferred name
- 8-Hydrazinotheophylline
- IUPAC
- 8-hydrazinyl-1,3-dimethyl-7H-purine-2,6-dione
Names & synonyms
88552-69-68-hydrazinotheophyllineS75PA7S79I1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3-dimethyl-, 8-hydrazoneNSC 62589NSC-62589UNII-S75PA7S79IDTXSID30237120THEOPHYLLINE, 8-HYDRAZINO-1H-PURINE-2,6-DIONE, 8-HYDRAZINYL-3,9-DIHYDRO-1,3-DIMETHYL-8-HYDRAZINYL-3,9-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONERefChem:199246
Show more names
DTXCID30159611NSC625898-hydrazinyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione8-Hydrazino-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione8-Hydrazinyl-1,3-dimethyl-1H-purine-2,6(3H,9H)-dioneNCIOpen2_002688Oprea1_432931Oprea1_651005
Database identifiers
- CAS
88552-69-6- PubChem CID
- 96255
- DTXSID
DTXSID30237120- UNII
- S75PA7S79I
- Nikkaji
- J1.176.129A
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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