4,6-Dimethyl-3-phenyltriazolo[4,5-d]pyrimidine-5,7-dione
Basic information
- CAS
68321-38-0- Standard SMILES
Cn1c(=O)c2nnn(-c3ccccc3)c2n(C)c1=O- InChIKey
RLTFWIHGCRWKBW-UHFFFAOYSA-N- Molecular formula
- C12H11N5O2
- Average molar mass
- 257.25 g/mol
- Monoisotopic mass
- 257.09127461
Names & identifiers
- Preferred name
- 4,6-Dimethyl-3-phenyltriazolo[4,5-d]pyrimidine-5,7-dione
- IUPAC
- 4,6-dimethyl-3-phenyltriazolo[4,5-d]pyrimidine-5,7-dione
Names & synonyms
NSC26541368321-38-0DTXSID70312985NSC-2654134,6-Dimethyl-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
Database identifiers
- CAS
68321-38-0- PubChem CID
- 319813
- DTXSID
DTXSID70312985
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
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Compound notes
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