2,5-Dimethyl-3,7-dihydrotriazolo[4,5-d]pyrimidine
Basic information
- CAS
58950-33-7- Standard SMILES
CC1=NCc2nn(C)nc2N1- InChIKey
QSEHDRBLVSNUJY-UHFFFAOYSA-N- Molecular formula
- C6H9N5
- Average molar mass
- 151.17 g/mol
- Monoisotopic mass
- 151.08579531
Names & identifiers
- Preferred name
- 2,5-Dimethyl-3,7-dihydrotriazolo[4,5-d]pyrimidine
- IUPAC
- 2,5-dimethyl-4,7-dihydrotriazolo[4,5-d]pyrimidine
Names & synonyms
58950-33-72,5-dimethyl-3,7-dihydrotriazolo[4,5-d]pyrimidineNSC281306DTXSID70418491NSC-281306DS-0087452,5-Dimethyl-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidine2H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDINE,3,7-DIHYDRO-2,5-DIMETHYL-
Database identifiers
- CAS
58950-33-7- PubChem CID
- 322901
- DTXSID
DTXSID70418491
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 189
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Related reactions
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Compound notes
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