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

C9H12F3N3 — CID 61338517

IUPAC5-cyclohexyl-3-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)8-13-7(14-15-8)6-4-2-1-3-5-6/h6H,1-5H2,(H,13,14,15)
InChIKeyVRAZMIPRAXMSBJ-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.87
Rot. Bonds1

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

5-cyclohexyl-3-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 61338517) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 5-cyclohexyl-3-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclohexyl-3-(trifluoromethyl)-1H-1,2,4-triazole
PubChem CID61338517
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name5-cyclohexyl-3-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)8-13-7(14-15-8)6-4-2-1-3-5-6/h6H,1-5H2,(H,13,14,15)
InChIKeyVRAZMIPRAXMSBJ-UHFFFAOYSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1H-1,2,4-triazol-5-amine
CID 3162005
5-Cyclohexylmethyl-1H-[1,2,4]triazol-3-ylamine
CID 5204120
3,5-dicyclohexyl-1H-1,2,4-triazole
CID 61337945
5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 18811364
3-cyclopropyl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole
CID 50959853
3-(trifluoromethyl)-5-undecyl-1H-1,2,4-triazole
CID 11822427
1H-1,2,4-Triazole, 3-(heptadecafluorooctyl)-5-methyl-
CID 12117507
5-pentyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 10013238
3-butyl-5-(1,1-difluorobutyl)-1H-1,2,4-triazole
CID 21898394
5-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-1,2,4-triazole
CID 21898537
5-butyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole
CID 21899031
5-butyl-3-(difluoromethyl)-1H-1,2,4-triazole
CID 21899052

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(trifluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclohexyl-3-(trifluoromethyl)-1H-1,2,4-triazole (CID 61338517) is 5-cyclohexyl-3-(trifluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclohexyl-3-(trifluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclohexyl-3-(trifluoromethyl)-1H-1,2,4-triazole is FC(F)(F)c1n[nH]c(C2CCCCC2)n1.
What is the InChIKey of 5-cyclohexyl-3-(trifluoromethyl)-1H-1,2,4-triazole?
The InChIKey is VRAZMIPRAXMSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c10-9(11,12)8-13-7(14-15-8)6-4-2-1-3-5-6/h6H,1-5H2,(H,13,14,15).
What are the key properties of 5-cyclohexyl-3-(trifluoromethyl)-1H-1,2,4-triazole?
5-cyclohexyl-3-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 219.21 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 61338517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).