5,8-Dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine

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Basic information

CAS: 19848-82-9
Standard SMILES: Cc1ncc(C)n2c(-c3ccccc3)nnc12
InChIKey: YJPWLXCCSFKUEK-UHFFFAOYSA-N
Molecular formula: C13H12N4
Average molar mass: 224.26 g/mol
Monoisotopic mass: 224.1061964

Names & identifiers

Preferred name: 5,8-Dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine
IUPAC: 5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine
English name: 5,8-Dimethyl-3-phenyl-1,2,4-triazolo[4,3-a]pyrazine
Molecular formula: C13H12N4
Molecular weight: 224.26

Names & synonyms

5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine19848-82-95,8-Dimethyl-3-phenyl-s-triazolo[4,3-a]pyrazine5,8-Dimethyl-3-phenyl-1,2,4-triazolo[4,3-a]pyrazines-Triazolo[4,3-a]pyrazine, 5,8-dimethyl-3-phenyl-DTXSID70346700YJPWLXCCSFKUEK-UHFFFAOYSA-N5,8-Dimethyl-3-phenyl[1,2,4]triazolo[4,3-a]pyrazine5,8-Dimethyl-3-phenyl[1,2,4]triazolo[4,3-a]pyrazine #1,2,4-Triazolo[4,3-a]pyrazine, 5,8-dimethyl-3-phenyl-

Database identifiers

CAS: 19848-82-9
PubChem CID: 614138
DTXSID: DTXSID70346700
Nikkaji: J104.578D

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 264

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Compound notes

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