7-N,7-N-dimethyl-2H-triazolo[4,5-d]pyrimidine-5,7-diamine
Basic information
- CAS
90031-01-9- Standard SMILES
CN(C)c1nc(N)nc2n[nH]nc12- InChIKey
IOXDWYMHOIYBBA-UHFFFAOYSA-N- Molecular formula
- C6H9N7
- Average molar mass
- 179.18 g/mol
- Monoisotopic mass
- 179.09194332
Names & identifiers
- Preferred name
- 7-N,7-N-dimethyl-2H-triazolo[4,5-d]pyrimidine-5,7-diamine
- IUPAC
- 7-N,7-N-dimethyl-2H-triazolo[4,5-d]pyrimidine-5,7-diamine
Names & synonyms
90031-01-97-N,7-N-dimethyl-2H-triazolo[4,5-d]pyrimidine-5,7-diamineSCHEMBL7908213DTXSID90423406NSC39095NSC-39095N~7~,N~7~-Dimethyl-2H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-diamine
Database identifiers
- CAS
90031-01-9- PubChem CID
- 6412466
- DTXSID
DTXSID90423406
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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