8-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine

C6H2Cl2F2N4 — CID 170911731

IUPAC8-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(Cl)c1nnc2c(Cl)nccn12
InChIInChI=1S/C6H2Cl2F2N4/c7-3-4-12-13-5(6(8,9)10)14(4)2-1-11-3/h1-2H
InChIKeyFOAJXLIYHQKALL-UHFFFAOYSA-N
MW239.01 g/mol
LogP2.07
Rot. Bonds1

About 8-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine

8-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 170911731) has the molecular formula C6H2Cl2F2N4 and a molecular weight of 239.01 g/mol. Its IUPAC name is 8-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID170911731
Molecular FormulaC6H2Cl2F2N4
Molecular Weight239.01 g/mol
Exact Mass237.96
IUPAC Name8-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(Cl)c1nnc2c(Cl)nccn12
InChIInChI=1S/C6H2Cl2F2N4/c7-3-4-12-13-5(6(8,9)10)14(4)2-1-11-3/h1-2H
InChIKeyFOAJXLIYHQKALL-UHFFFAOYSA-N
XLogP2.07
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.01
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 170911731) is 8-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(Cl)c1nnc2c(Cl)nccn12.
What is the InChIKey of 8-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is FOAJXLIYHQKALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F2N4/c7-3-4-12-13-5(6(8,9)10)14(4)2-1-11-3/h1-2H.
What are the key properties of 8-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 239.01 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 170911731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).