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

C8H8F2N4 — CID 123909889

IUPAC3-(2,2-difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(F)(F)Cc1nnc2cnccn12
InChIInChI=1S/C8H8F2N4/c1-8(9,10)4-6-12-13-7-5-11-2-3-14(6)7/h2-3,5H,4H2,1H3
InChIKeyUKUBLZQXZSVFRE-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.32
Rot. Bonds2

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

3-(2,2-difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 123909889) has the molecular formula C8H8F2N4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-(2,2-difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2,2-difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID123909889
Molecular FormulaC8H8F2N4
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC Name3-(2,2-difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(F)(F)Cc1nnc2cnccn12
InChIInChI=1S/C8H8F2N4/c1-8(9,10)4-6-12-13-7-5-11-2-3-14(6)7/h2-3,5H,4H2,1H3
InChIKeyUKUBLZQXZSVFRE-UHFFFAOYSA-N
XLogP1.32
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2,2-difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 123909889) is 3-(2,2-difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2,2-difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2,2-difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine is CC(F)(F)Cc1nnc2cnccn12.
What is the InChIKey of 3-(2,2-difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is UKUBLZQXZSVFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4/c1-8(9,10)4-6-12-13-7-5-11-2-3-14(6)7/h2-3,5H,4H2,1H3.
What are the key properties of 3-(2,2-difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2,2-difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 198.18 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 123909889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).