3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole

C14H20F3N3 — CID 104622352

IUPAC3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole
SMILESFC(F)(F)C1CCCCC1c1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C14H20F3N3/c15-14(16,17)11-8-4-3-7-10(11)13-18-12(19-20-13)9-5-1-2-6-9/h9-11H,1-8H2,(H,18,19,20)
InChIKeyHDNDZEAUZSWTDD-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.30
Rot. Bonds2

About 3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole

3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole (PubChem CID 104622352) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole
PubChem CID104622352
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole
SMILESFC(F)(F)C1CCCCC1c1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C14H20F3N3/c15-14(16,17)11-8-4-3-7-10(11)13-18-12(19-20-13)9-5-1-2-6-9/h9-11H,1-8H2,(H,18,19,20)
InChIKeyHDNDZEAUZSWTDD-UHFFFAOYSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-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

5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole-3-sulfonyl chloride
CID 113434049
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxylic acid
CID 61347315
3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 84664294
3-cyclopentyl-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 62906735
(1S,6R)-6-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 104963281
4-[3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-1-methylpiperidine
CID 171141371
4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine
CID 66247471
5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 104623005
2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine
CID 104622377
3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole
CID 80566356
4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole
CID 104622397
4-amino-3-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole-5-thione
CID 113433984

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole (CID 104622352) is 3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole is FC(F)(F)C1CCCCC1c1nc(C2CCCC2)n[nH]1.
What is the InChIKey of 3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole?
The InChIKey is HDNDZEAUZSWTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c15-14(16,17)11-8-4-3-7-10(11)13-18-12(19-20-13)9-5-1-2-6-9/h9-11H,1-8H2,(H,18,19,20).
What are the key properties of 3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole?
3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole has a molecular weight of 287.33 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole is sourced from PubChem (CID 104622352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).