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

C5H6F3N3 — CID 115394673

IUPAC4-ethyl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCCn1cnnc1C(F)(F)F
InChIInChI=1S/C5H6F3N3/c1-2-11-3-9-10-4(11)5(6,7)8/h3H,2H2,1H3
InChIKeyKGJZEBRXGMBYTE-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.32
Rot. Bonds1

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

4-ethyl-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 115394673) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 4-ethyl-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID115394673
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name4-ethyl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCCn1cnnc1C(F)(F)F
InChIInChI=1S/C5H6F3N3/c1-2-11-3-9-10-4(11)5(6,7)8/h3H,2H2,1H3
InChIKeyKGJZEBRXGMBYTE-UHFFFAOYSA-N
XLogP1.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-4H-1,2,4-triazole
CID 12217053
4-ethyl-3-methyl-4H-1,2,4-triazole
CID 12278549
4-Methyl-3-(trifluoromethyl)-4H-1,2,4-triazole
CID 23067454
3-methyl-4-propyl-4H-1,2,4-triazole
CID 53870217
1,4,5-Trimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91431739
4-Methyl-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 21811613
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-(chloromethyl)-4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazole
CID 81665133
1-(3-Fluoropropyl)-4,5-dimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91186237
1,3,4-Trimethyl-1,2,4-triazol-4-ium
CID 11796926

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-(trifluoromethyl)-1,2,4-triazole (CID 115394673) is 4-ethyl-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-(trifluoromethyl)-1,2,4-triazole is CCn1cnnc1C(F)(F)F.
What is the InChIKey of 4-ethyl-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is KGJZEBRXGMBYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c1-2-11-3-9-10-4(11)5(6,7)8/h3H,2H2,1H3.
What are the key properties of 4-ethyl-3-(trifluoromethyl)-1,2,4-triazole?
4-ethyl-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 165.12 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 115394673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).