6,8-Dimethyl-3-(4-nitrophenyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Basic information
- CAS
25775-01-3- Standard SMILES
Cn1c(=O)c2nc(-c3ccc([N+](=O)[O-])cc3)nnc2n(C)c1=O- InChIKey
ZJTPHGQVWPKBAY-UHFFFAOYSA-N- Molecular formula
- C13H10N6O4
- Average molar mass
- 314.26 g/mol
- Monoisotopic mass
- 314.07635282
Names & identifiers
- Preferred name
- 6,8-Dimethyl-3-(4-nitrophenyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
- IUPAC
- 6,8-dimethyl-3-(4-nitrophenyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Names & synonyms
NSC28016725775-01-3DTXSID10314044NSC-2801676,8-Dimethyl-3-(4-nitrophenyl)pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione
Database identifiers
- CAS
25775-01-3- PubChem CID
- 322473
- DTXSID
DTXSID10314044- Nikkaji
- J393.110B
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 515
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Compound notes
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