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

C8H10F3N3 — CID 163390480

IUPAC4-ethyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole
SMILESC=C(C)c1nnc(C(F)(F)F)n1CC
InChIInChI=1S/C8H10F3N3/c1-4-14-6(5(2)3)12-13-7(14)8(9,10)11/h2,4H2,1,3H3
InChIKeyYMYNMMGKZWCCGH-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.35
Rot. Bonds2

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

4-ethyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole (PubChem CID 163390480) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 4-ethyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole
PubChem CID163390480
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name4-ethyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole
SMILESC=C(C)c1nnc(C(F)(F)F)n1CC
InChIInChI=1S/C8H10F3N3/c1-4-14-6(5(2)3)12-13-7(14)8(9,10)11/h2,4H2,1,3H3
InChIKeyYMYNMMGKZWCCGH-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-Di(propan-2-yl)-5-(trifluoromethyl)-1,2,4-triazole
CID 57973802
3-Tert-butyl-4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 59539542
3-Tert-butyl-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 59539763
4-Methyl-3-prop-2-enyl-5-(trifluoromethyl)-1,2,4-triazole
CID 68912308
3-Ethyl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole
CID 89734320
3,4-Diethyl-5-(trifluoromethyl)-1,2,4-triazole
CID 91362534
3-Tert-butyl-5-(difluoromethyl)-4-methyl-1,2,4-triazole
CID 129175046
5-[(Z)-but-2-en-2-yl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 134469053
3-(Cyclopropylmethyl)-4-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-1,2,4-triazole
CID 149170399
4-Methyl-3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 158464728
5-(Difluoromethyl)-1-methyl-3-prop-1-en-2-yl-1,2,4-triazole
CID 169840421
3-(Difluoromethyl)-4,5-di(propan-2-yl)-1,2,4-triazole
CID 176773653

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole (CID 163390480) is 4-ethyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole is C=C(C)c1nnc(C(F)(F)F)n1CC.
What is the InChIKey of 4-ethyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is YMYNMMGKZWCCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-4-14-6(5(2)3)12-13-7(14)8(9,10)11/h2,4H2,1,3H3.
What are the key properties of 4-ethyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole?
4-ethyl-3-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 4-ethyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 163390480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).