3-Naphthalen-2-yl-pyrido(3,4-e)(1,2,4)triazine

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Basic information

CAS: 121845-64-5
Standard SMILES: c1ccc2cc(-c3nnc4ccncc4n3)ccc2c1
InChIKey: XNJVTIPYRKIRNL-UHFFFAOYSA-N
Molecular formula: C16H10N4
Average molar mass: 258.28 g/mol
Monoisotopic mass: 258.09054634

Names & identifiers

Preferred name: 3-Naphthalen-2-yl-pyrido(3,4-e)(1,2,4)triazine
IUPAC: 3-naphthalen-2-ylpyrido[3,4-e][1,2,4]triazine

Names & synonyms

121845-64-53-Naphthalen-2-yl-pyrido(3,4-e)(1,2,4)triazine3-Naphthalen-2-yl-pyrido[3,4-e][1,2,4]triazineCHEMBL309207DTXSID201534013-(NAPHTHALEN-2-YL)PYRIDO[3,4-E][1,2,4]TRIAZINE3-(2-naphthyl)pyrido[3,4-e][1,2,4]triazine

Database identifiers

CAS: 121845-64-5
PubChem CID: 516614
DTXSID: DTXSID20153401
ChEMBL: CHEMBL309207
Nikkaji: J239.923G

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 51.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 334

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Compound notes

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