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

C8H14F3N3 — CID 69382571

IUPAC4-ethyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole
SMILESCCCN1N=CN(CC)C1C(F)(F)F
InChIInChI=1S/C8H14F3N3/c1-3-5-14-7(8(9,10)11)13(4-2)6-12-14/h6-7H,3-5H2,1-2H3
InChIKeyKOWDOMUTHODBDZ-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.87
Rot. Bonds3

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

4-ethyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole (PubChem CID 69382571) has the molecular formula C8H14F3N3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 4-ethyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole
PubChem CID69382571
Molecular FormulaC8H14F3N3
Molecular Weight209.21 g/mol
Exact Mass209.11
IUPAC Name4-ethyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole
SMILESCCCN1N=CN(CC)C1C(F)(F)F
InChIInChI=1S/C8H14F3N3/c1-3-5-14-7(8(9,10)11)13(4-2)6-12-14/h6-7H,3-5H2,1-2H3
InChIKeyKOWDOMUTHODBDZ-UHFFFAOYSA-N
XLogP1.87
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole?
The IUPAC name of 4-ethyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole (CID 69382571) is 4-ethyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole?
The canonical SMILES for 4-ethyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole is CCCN1N=CN(CC)C1C(F)(F)F.
What is the InChIKey of 4-ethyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole?
The InChIKey is KOWDOMUTHODBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3/c1-3-5-14-7(8(9,10)11)13(4-2)6-12-14/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-ethyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole?
4-ethyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole has a molecular weight of 209.21 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole is sourced from PubChem (CID 69382571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).