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

HCID 516616

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Basic information

CAS: 121845-66-7
Standard SMILES: c1cncc(-c2nnc3ccncc3n2)c1
InChIKey: GQYGMLFDERNIMM-UHFFFAOYSA-N
Molecular formula: C11H7N5
Average molar mass: 209.21 g/mol
Monoisotopic mass: 209.07014524

Names & identifiers

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

Names & synonyms

3-Pyridin-3-yl-pyrido(3,4-e)(1,2,4)triazine121845-66-73-Pyridin-3-yl-pyrido[3,4-e][1,2,4]triazineCHEMBL79825DTXSID401534033-(3-pyridyl)pyrido[3,4-e][1,2,4]triazine3-(Pyridin-3-yl)pyrido[3,4-e][1,2,4]triazine

Database identifiers

CAS: 121845-66-7
PubChem CID: 516616
DTXSID: DTXSID40153403
ChEMBL: CHEMBL79825
Nikkaji: J239.925C

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 64.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 234

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