3-(2-cyclohexylethyl)-4-(fluoromethyl)-5-propyl-1,2,4-triazole

C14H24FN3 — CID 144615321

IUPAC3-(2-cyclohexylethyl)-4-(fluoromethyl)-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(CCC2CCCCC2)n1CF
InChIInChI=1S/C14H24FN3/c1-2-6-13-16-17-14(18(13)11-15)10-9-12-7-4-3-5-8-12/h12H,2-11H2,1H3
InChIKeyBKUIEJMPBAJYNZ-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.67
Rot. Bonds6

About 3-(2-cyclohexylethyl)-4-(fluoromethyl)-5-propyl-1,2,4-triazole

3-(2-cyclohexylethyl)-4-(fluoromethyl)-5-propyl-1,2,4-triazole (PubChem CID 144615321) has the molecular formula C14H24FN3 and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-4-(fluoromethyl)-5-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-4-(fluoromethyl)-5-propyl-1,2,4-triazole
PubChem CID144615321
Molecular FormulaC14H24FN3
Molecular Weight253.36 g/mol
Exact Mass253.20
IUPAC Name3-(2-cyclohexylethyl)-4-(fluoromethyl)-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(CCC2CCCCC2)n1CF
InChIInChI=1S/C14H24FN3/c1-2-6-13-16-17-14(18(13)11-15)10-9-12-7-4-3-5-8-12/h12H,2-11H2,1H3
InChIKeyBKUIEJMPBAJYNZ-UHFFFAOYSA-N
XLogP3.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 71999747
1-(Cyclohexylmethyl)-3-(difluoromethyl)-5-methyl-1,2,4-triazole
CID 68264932
3-Decan-3-yl-1-(2-fluoroethyl)-1,2,4-triazole
CID 69050322
3-(4-Fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole
CID 142265865
3-Fluoro-4-methyl-5-(6-methyldodecan-6-yl)-1,2,4-triazole
CID 146377793
(5-Dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite
CID 155116285
7-Butan-2-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 163390467
5-Dodecan-6-yl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 169602953
3-(1-Fluoroethyl)-1-methyl-5-pentan-3-yl-1,2,4-triazole
CID 170383493
3-(Difluoromethyl)-7-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 170928371
3-Bromo-5-(4,4-difluorocyclohexyl)-1-methyl-1,2,4-triazole
CID 171075772
Ethane;6-ethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 177136243

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-4-(fluoromethyl)-5-propyl-1,2,4-triazole?
The IUPAC name of 3-(2-cyclohexylethyl)-4-(fluoromethyl)-5-propyl-1,2,4-triazole (CID 144615321) is 3-(2-cyclohexylethyl)-4-(fluoromethyl)-5-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-cyclohexylethyl)-4-(fluoromethyl)-5-propyl-1,2,4-triazole?
The canonical SMILES for 3-(2-cyclohexylethyl)-4-(fluoromethyl)-5-propyl-1,2,4-triazole is CCCc1nnc(CCC2CCCCC2)n1CF.
What is the InChIKey of 3-(2-cyclohexylethyl)-4-(fluoromethyl)-5-propyl-1,2,4-triazole?
The InChIKey is BKUIEJMPBAJYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3/c1-2-6-13-16-17-14(18(13)11-15)10-9-12-7-4-3-5-8-12/h12H,2-11H2,1H3.
What are the key properties of 3-(2-cyclohexylethyl)-4-(fluoromethyl)-5-propyl-1,2,4-triazole?
3-(2-cyclohexylethyl)-4-(fluoromethyl)-5-propyl-1,2,4-triazole has a molecular weight of 253.36 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-4-(fluoromethyl)-5-propyl-1,2,4-triazole is sourced from PubChem (CID 144615321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).