3-ethyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole

C8H10F3N3 — CID 163390299

IUPAC3-ethyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole
SMILESC=C(C)n1c(CC)nnc1C(F)(F)F
InChIInChI=1S/C8H10F3N3/c1-4-6-12-13-7(8(9,10)11)14(6)5(2)3/h2,4H2,1,3H3
InChIKeyLINVQZZQRLOSHI-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.35
Rot. Bonds2

About 3-ethyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole

3-ethyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole (PubChem CID 163390299) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-ethyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole
PubChem CID163390299
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name3-ethyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole
SMILESC=C(C)n1c(CC)nnc1C(F)(F)F
InChIInChI=1S/C8H10F3N3/c1-4-6-12-13-7(8(9,10)11)14(6)5(2)3/h2,4H2,1,3H3
InChIKeyLINVQZZQRLOSHI-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Pentyl-1-prop-1-en-2-yl-3-(trifluoromethyl)-1,2,4-triazole
CID 10243685
4-[(2E)-4-chloropenta-2,4-dien-2-yl]-3-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 141951043
3-methyl-4-[(2E)-penta-2,4-dien-2-yl]-5-(trifluoromethyl)-1,2,4-triazole
CID 141951058
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 153554257
3,5-Dimethyl-4-prop-1-en-2-yl-1,2,4-triazole
CID 142624300
3,5-Dimethyl-1-prop-1-en-2-yl-1,2,4-triazole
CID 164110962
3-ethyl-5-methyl-4-[(2E)-penta-2,4-dien-2-yl]-1,2,4-triazole
CID 144853602

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 3-ethyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole (CID 163390299) is 3-ethyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 3-ethyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole is C=C(C)n1c(CC)nnc1C(F)(F)F.
What is the InChIKey of 3-ethyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is LINVQZZQRLOSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-4-6-12-13-7(8(9,10)11)14(6)5(2)3/h2,4H2,1,3H3.
What are the key properties of 3-ethyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole?
3-ethyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 205.18 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 163390299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).