3-cyclohexyl-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole

C19H22F3N3S — CID 7215074

IUPAC3-cyclohexyl-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
SMILESC=CCn1c(SCc2ccccc2C(F)(F)F)nnc1C1CCCCC1
InChIInChI=1S/C19H22F3N3S/c1-2-12-25-17(14-8-4-3-5-9-14)23-24-18(25)26-13-15-10-6-7-11-16(15)19(20,21)22/h2,6-7,10-11,14H,1,3-5,8-9,12-13H2
InChIKeyTUOQEUJDRKPRKP-UHFFFAOYSA-N
MW381.47 g/mol
LogP5.82
Rot. Bonds6

About 3-cyclohexyl-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole

3-cyclohexyl-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole (PubChem CID 7215074) has the molecular formula C19H22F3N3S and a molecular weight of 381.47 g/mol. Its IUPAC name is 3-cyclohexyl-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclohexyl-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
PubChem CID7215074
Molecular FormulaC19H22F3N3S
Molecular Weight381.47 g/mol
Exact Mass381.15
IUPAC Name3-cyclohexyl-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
SMILESC=CCn1c(SCc2ccccc2C(F)(F)F)nnc1C1CCCCC1
InChIInChI=1S/C19H22F3N3S/c1-2-12-25-17(14-8-4-3-5-9-14)23-24-18(25)26-13-15-10-6-7-11-16(15)19(20,21)22/h2,6-7,10-11,14H,1,3-5,8-9,12-13H2
InChIKeyTUOQEUJDRKPRKP-UHFFFAOYSA-N
XLogP5.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.47
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-cyclohexyl-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-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-fluorophenyl)-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 7126762
3-cyclopropyl-4-phenyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 31131524
2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
CID 132891259
4-prop-2-enyl-1-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2483019
2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234597
2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16502774
3-[(2-chlorophenyl)methylsulfanyl]-5-(cyclohexylmethyl)-4-prop-2-enyl-1,2,4-triazole
CID 17383533
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16502743
2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]indolizine-1-carbonitrile
CID 24626554
2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N,2-diphenylacetamide
CID 24557013
2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
CID 16502791
N-[4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16502641

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole?
The IUPAC name of 3-cyclohexyl-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole (CID 7215074) is 3-cyclohexyl-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole.
What is the SMILES notation for 3-cyclohexyl-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole?
The canonical SMILES for 3-cyclohexyl-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole is C=CCn1c(SCc2ccccc2C(F)(F)F)nnc1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole?
The InChIKey is TUOQEUJDRKPRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3S/c1-2-12-25-17(14-8-4-3-5-9-14)23-24-18(25)26-13-15-10-6-7-11-16(15)19(20,21)22/h2,6-7,10-11,14H,1,3-5,8-9,12-13H2.
What are the key properties of 3-cyclohexyl-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole?
3-cyclohexyl-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole has a molecular weight of 381.47 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole is sourced from PubChem (CID 7215074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).