Pyrimido(5,4-e)-1,2,4-triazine-5,7-(1H,6H)-dione, 3-(3,4-dichlorophenyl)-1,6-dimethyl-
Basic information
- CAS
42285-69-8- Standard SMILES
Cn1nc(-c2ccc(Cl)c(Cl)c2)nc2c(=O)n(C)c(=O)nc1-2- InChIKey
WXPVEFQJXLQDFO-UHFFFAOYSA-N- Molecular formula
- C13H9Cl2N5O2
- Average molar mass
- 338.15 g/mol
- Monoisotopic mass
- 337.0133299
Names & identifiers
- Preferred name
- Pyrimido(5,4-e)-1,2,4-triazine-5,7-(1H,6H)-dione, 3-(3,4-dichlorophenyl)-1,6-dimethyl-
- IUPAC
- 3-(3,4-dichlorophenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Names & synonyms
42285-69-8NSC 280173Pyrimido(5,4-e)-1,2,4-triazine-5,7-(1H,6H)-dione, 3-(3,4-dichlorophenyl)-1,6-dimethyl-NSC280173NSC-2801739R4V8HB8MTOprea1_508107SCHEMBL2183068CHEMBL1098317DTXSID90195116BDBM188285EX-A3706
Show more names
AKOS005423299ST50879028SR-01000432317US9073941, 111SR-01000432317-13-(3,4-dichlorophenyl)-1,6-dimethyl-6-hydropyrimidino[5,4-e]1,2,4-triazine-5,7 -dione3-(3,4-dichlorophenyl)-1,6-dimethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione3-(3,4-Dichlorophenyl)-1,6-dimethylpyrimido[5,4-e]-1,2,4-triazine-5,7(1H,6H)-dione
Database identifiers
- CAS
42285-69-8- PubChem CID
- 322477
- DTXSID
DTXSID90195116- ChEMBL
CHEMBL1098317- UNII
- 9R4V8HB8MT
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 630
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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