3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C6H4F2N4 — CID 86685649

IUPAC3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)c1nnc2cnccn12
InChIInChI=1S/C6H4F2N4/c7-5(8)6-11-10-4-3-9-1-2-12(4)6/h1-3,5H
InChIKeySGMCGPUNBVSXKH-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.06
Rot. Bonds1

About 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 86685649) has the molecular formula C6H4F2N4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID86685649
Molecular FormulaC6H4F2N4
Molecular Weight170.12 g/mol
Exact Mass170.04
IUPAC Name3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)c1nnc2cnccn12
InChIInChI=1S/C6H4F2N4/c7-5(8)6-11-10-4-3-9-1-2-12(4)6/h1-3,5H
InChIKeySGMCGPUNBVSXKH-UHFFFAOYSA-N
XLogP1.06
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 86685649) is 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)c1nnc2cnccn12.
What is the InChIKey of 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is SGMCGPUNBVSXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N4/c7-5(8)6-11-10-4-3-9-1-2-12(4)6/h1-3,5H.
What are the key properties of 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 170.12 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 86685649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).