3-Benzyl-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine

HCID 10243576

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Basic information

CAS: 68797-02-4
Standard SMILES: Clc1nccn2c(Cc3ccccc3)nnc12
InChIKey: ZPPACKFZYUGJBE-UHFFFAOYSA-N
Molecular formula: C12H9ClN4
Average molar mass: 244.68 g/mol
Monoisotopic mass: 244.051574

Names & identifiers

Preferred name: 3-Benzyl-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
IUPAC: 3-benzyl-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine

Names & synonyms

3-benzyl-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine68797-02-4SCHEMBL9051857DTXSID70437248ZPPACKFZYUGJBE-UHFFFAOYSA-NAKOS0136919083-benzyl-8-chloro-1,2,4-triazolo[4,3-a]pyrazine3-Benzyl-8-chloro[1,2,4]triazolo[4,3-a]pyrazine

Database identifiers

CAS: 68797-02-4
PubChem CID: 10243576
DTXSID: DTXSID70437248

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 257

Related reactions

1 records

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HRID 2371692As productuspto-grants-1992_03

Compound notes

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