1-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

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Basic information

Standard SMILES: CCn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2
InChIKey: HJXOIRIPJDWFBS-UHFFFAOYSA-N
Molecular formula: C14H13N5O2
Average molar mass: 283.29 g/mol

Names & identifiers

Preferred name: 1-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
IUPAC: 1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

Names & synonyms

MLS0000278321-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dioneSMR000008919164520-05-21-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dioneSR-01000326678regid845167P00001Oprea1_082706cid_647501orb3175132SCHEMBL3293964

Show more names

CHEMBL1488035BDBM31040HJXOIRIPJDWFBS-UHFFFAOYSA-NHMS1632E05HMS2181B131-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dioneAKOS001873523CCG-144086

Database identifiers

PubChem CID: 647501
ChEMBL: CHEMBL1488035
Nikkaji: J1.471.211I

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 77.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 572

Related reactions

1 records

New reaction record

HRID 16144As productuspto-grants-2010_06

Compound notes

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