Basic information
- Standard SMILES
CCCCn1nc(-c2ccc(OC)c(OC)c2)nc2c(=O)n(C)c(=O)nc1-2- InChIKey
KEMNINDDGCFYQJ-UHFFFAOYSA-N- Molecular formula
- C18H21N5O4
- Average molar mass
- 371.4 g/mol
Names & identifiers
- Preferred name
- 1-Butyl-6-methyl-3-[3,4-dimethoxyphenyl]-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
- IUPAC
- 1-butyl-3-(3,4-dimethoxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Names & synonyms
SCHEMBL3294281KEMNINDDGCFYQJ-UHFFFAOYSA-N1-Butyl-6-methyl-3-[3,4-dimethoxyphenyl]-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Database identifiers
- PubChem CID
- 9976475
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 702
Related reactions
1 records
Compound notes
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