2-(difluoromethyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

C8H8F2N4 — CID 69361700

IUPAC2-(difluoromethyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(C(F)F)nc12
InChIInChI=1S/C8H8F2N4/c1-4-3-11-5(2)8-12-7(6(9)10)13-14(4)8/h3,6H,1-2H3
InChIKeyUIRQPQNMAPTNKJ-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.68
Rot. Bonds1

About 2-(difluoromethyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

2-(difluoromethyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 69361700) has the molecular formula C8H8F2N4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(difluoromethyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(difluoromethyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID69361700
Molecular FormulaC8H8F2N4
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC Name2-(difluoromethyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(C(F)F)nc12
InChIInChI=1S/C8H8F2N4/c1-4-3-11-5(2)8-12-7(6(9)10)13-14(4)8/h3,6H,1-2H3
InChIKeyUIRQPQNMAPTNKJ-UHFFFAOYSA-N
XLogP1.68
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-(difluoromethyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 69361700) is 2-(difluoromethyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(difluoromethyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(difluoromethyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(C(F)F)nc12.
What is the InChIKey of 2-(difluoromethyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is UIRQPQNMAPTNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4/c1-4-3-11-5(2)8-12-7(6(9)10)13-14(4)8/h3,6H,1-2H3.
What are the key properties of 2-(difluoromethyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-(difluoromethyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 198.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 69361700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).