5-ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole

C6H8F3N3 — CID 89019157

IUPAC5-ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCCc1nc(C(F)(F)F)nn1C
InChIInChI=1S/C6H8F3N3/c1-3-4-10-5(6(7,8)9)11-12(4)2/h3H2,1-2H3
InChIKeySLLGFJYTBALZST-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.40
Rot. Bonds1

About 5-ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole

5-ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 89019157) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 5-ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID89019157
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name5-ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCCc1nc(C(F)(F)F)nn1C
InChIInChI=1S/C6H8F3N3/c1-3-4-10-5(6(7,8)9)11-12(4)2/h3H2,1-2H3
InChIKeySLLGFJYTBALZST-UHFFFAOYSA-N
XLogP1.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Heptafluoropropyl)-3-methoxy-1-methyl-1H-1,2,4-triazole
CID 11254517
5-Ethyl-1-methyl-1H-1,2,4-triazol-3-amine
CID 12523007
5-bromo-3-(difluoromethyl)-1-methyl-1H-1,2,4-triazole
CID 155821892
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)-1,4,5-trimethyl-1,2,4-triazol-4-ium
CID 12117503
1,4,5-Trimethyl-3-trifluoromethyl-1,2,4-triazolium
CID 91431739
1-(Difluoromethyl)-3-methyl-1h-1,2,4-triazole
CID 89925217
1-(Difluoromethyl)-5-methyl-1h-1,2,4-triazole
CID 138392529
1,5-dimethyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 45791732
3-ethyl-1-methyl-1H-1,2,4-triazol-5-amine
CID 12450937
3-(chloromethyl)-1-methyl-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 165981594
5-(chloromethyl)-1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 165998660
5-(chloromethyl)-3-(difluoromethyl)-1-methyl-1H-1,2,4-triazole
CID 177798736

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 5-ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole (CID 89019157) is 5-ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 5-ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 5-ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole is CCc1nc(C(F)(F)F)nn1C.
What is the InChIKey of 5-ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is SLLGFJYTBALZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-3-4-10-5(6(7,8)9)11-12(4)2/h3H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole?
5-ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 179.15 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 89019157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).