1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Basic information
- CAS
332402-53-6- Standard SMILES
CCn1nc(-c2cccs2)nc2c(=O)n(C)c(=O)nc1-2- InChIKey
DMDNERFCUCYCGM-UHFFFAOYSA-N- Molecular formula
- C12H11N5O2S
- Average molar mass
- 289.32 g/mol
- Monoisotopic mass
- 289.06334578
Names & identifiers
- Preferred name
- 1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
- IUPAC
- 1-ethyl-6-methyl-3-thiophen-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Names & synonyms
MLS000033110SMR0000089181-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dioneOprea1_582234Oprea1_633836CHEMBL555689cid_653297SCHEMBL10195758BDBM31044HMS2184P061-ethyl-6-methyl-3-thiophen-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dioneAKOS001873422
Show more names
CCG-144085EBC-611021NCGC00034880-02NCGC00034880-03ST50002655US9073941, 6101-ethyl-6-methyl-3-(2-thienyl)-6-hydropyrimidino[5,4-e]1,2,4-triazine-5,7-dion e1-ethyl-6-methyl-3-(2-thienyl)pyrimido[5,4-e][1,2,4]triazine-5,7-quinone
Database identifiers
- CAS
332402-53-6- PubChem CID
- 653297
- ChEMBL
CHEMBL555689- EC Number
- 884-875-1
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 568
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Compound notes
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