5-ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole

C8H10F3N3 — CID 171723580

IUPAC5-ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
SMILESC=Cc1nc(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C8H10F3N3/c1-4-6-12-7(8(9,10)11)13-14(6)5(2)3/h4-5H,1H2,2-3H3
InChIKeyVZZBZDGPACRSCW-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.52
Rot. Bonds2

About 5-ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole

5-ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 171723580) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 5-ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID171723580
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name5-ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
SMILESC=Cc1nc(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C8H10F3N3/c1-4-6-12-7(8(9,10)11)13-14(6)5(2)3/h4-5H,1H2,2-3H3
InChIKeyVZZBZDGPACRSCW-UHFFFAOYSA-N
XLogP2.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-Di(propan-2-yl)-3-(trifluoromethyl)-1,2,4-triazole
CID 57973778
5-Methyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
CID 90162186
5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 134468907
5-[(Z)-but-2-en-2-yl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 134469053
3-(3,3-Difluoroazetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole
CID 141381924
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
1-Methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole
CID 141419524
5-(Difluoromethyl)-3-methyl-1-propan-2-yl-1,2,4-triazole
CID 146511985
Ethane;5-methyl-1-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazole
CID 157031382
5-(Difluoromethyl)-3-ethenyl-1-methyl-1,2,4-triazole
CID 169809302

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 5-ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole (CID 171723580) is 5-ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 5-ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 5-ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole is C=Cc1nc(C(F)(F)F)nn1C(C)C.
What is the InChIKey of 5-ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is VZZBZDGPACRSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-4-6-12-7(8(9,10)11)13-14(6)5(2)3/h4-5H,1H2,2-3H3.
What are the key properties of 5-ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole?
5-ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 205.18 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 171723580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).