3-(Phenoxymethyl)pyrido[3,4-e][1,2,4]triazine

HCID 516596

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 55242-75-6
Standard SMILES: c1ccc(OCc2nnc3ccncc3n2)cc1
InChIKey: PQTQRKSYRYRINV-UHFFFAOYSA-N
Molecular formula: C13H10N4O
Average molar mass: 238.24 g/mol
Monoisotopic mass: 238.08546096

Names & identifiers

Preferred name: 3-(Phenoxymethyl)pyrido[3,4-e][1,2,4]triazine
IUPAC: 3-(phenoxymethyl)pyrido[3,4-e][1,2,4]triazine

Names & synonyms

55242-75-63-(phenoxymethyl)pyrido[3,4-e][1,2,4]triazine3-Phenoxymethyl-pyrido(3,4-e)(1,2,4)triazine3-Phenoxymethyl-pyrido[3,4-e][1,2,4]triazine3-phenoxymethylpyrido[3,4-e][1,2,4]triazineCHEMBL310443DTXSID20203753

Database identifiers

CAS: 55242-75-6
PubChem CID: 516596
DTXSID: DTXSID20203753
ChEMBL: CHEMBL310443
Nikkaji: J239.905I

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 60.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 257

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…