3-(3,3-difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole

C8H10F2N4 — CID 141381924

IUPAC3-(3,3-difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole
SMILESC=Cc1nc(N2CC(F)(F)C2)nn1C
InChIInChI=1S/C8H10F2N4/c1-3-6-11-7(12-13(6)2)14-4-8(9,10)5-14/h3H,1,4-5H2,2H3
InChIKeyOGFFMYIUIHDPOQ-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.91
Rot. Bonds2

About 3-(3,3-difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole

3-(3,3-difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole (PubChem CID 141381924) has the molecular formula C8H10F2N4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-(3,3-difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3,3-difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole
PubChem CID141381924
Molecular FormulaC8H10F2N4
Molecular Weight200.19 g/mol
Exact Mass200.09
IUPAC Name3-(3,3-difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole
SMILESC=Cc1nc(N2CC(F)(F)C2)nn1C
InChIInChI=1S/C8H10F2N4/c1-3-6-11-7(12-13(6)2)14-4-8(9,10)5-14/h3H,1,4-5H2,2H3
InChIKeyOGFFMYIUIHDPOQ-UHFFFAOYSA-N
XLogP0.91
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,3-Difluoropyrrolidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole
CID 141381936
1-(2,2-Difluoroethyl)-5-ethenyl-3-pyrrolidin-1-yl-1,2,4-triazole
CID 141381938
5-Ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole
CID 141381952
5-(Difluoromethyl)-3-ethenyl-1-methyl-1,2,4-triazole
CID 169809302
5-Ethenyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 171542259
5-Ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
CID 171723580
3-(Azetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole
CID 141381941
5-Ethenyl-1-methyl-3-(3-methylazetidin-1-yl)-1,2,4-triazole
CID 141381948

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole?
The IUPAC name of 3-(3,3-difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole (CID 141381924) is 3-(3,3-difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(3,3-difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole?
The canonical SMILES for 3-(3,3-difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole is C=Cc1nc(N2CC(F)(F)C2)nn1C.
What is the InChIKey of 3-(3,3-difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole?
The InChIKey is OGFFMYIUIHDPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N4/c1-3-6-11-7(12-13(6)2)14-4-8(9,10)5-14/h3H,1,4-5H2,2H3.
What are the key properties of 3-(3,3-difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole?
3-(3,3-difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole has a molecular weight of 200.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole is sourced from PubChem (CID 141381924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).