5-cyclopentyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole

C12H15F2N5S — CID 18141372

IUPAC5-cyclopentyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole
SMILESFC(F)n1ccnc1CSc1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C12H15F2N5S/c13-11(14)19-6-5-15-9(19)7-20-12-16-10(17-18-12)8-3-1-2-4-8/h5-6,8,11H,1-4,7H2,(H,16,17,18)
InChIKeyQEMOWSPTKXAYSR-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.35
Rot. Bonds5

About 5-cyclopentyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole

5-cyclopentyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole (PubChem CID 18141372) has the molecular formula C12H15F2N5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-cyclopentyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopentyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole
PubChem CID18141372
Molecular FormulaC12H15F2N5S
Molecular Weight299.35 g/mol
Exact Mass299.10
IUPAC Name5-cyclopentyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole
SMILESFC(F)n1ccnc1CSc1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C12H15F2N5S/c13-11(14)19-6-5-15-9(19)7-20-12-16-10(17-18-12)8-3-1-2-4-8/h5-6,8,11H,1-4,7H2,(H,16,17,18)
InChIKeyQEMOWSPTKXAYSR-UHFFFAOYSA-N
XLogP3.35
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopentyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole (CID 18141372) is 5-cyclopentyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopentyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopentyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole is FC(F)n1ccnc1CSc1n[nH]c(C2CCCC2)n1.
What is the InChIKey of 5-cyclopentyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole?
The InChIKey is QEMOWSPTKXAYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5S/c13-11(14)19-6-5-15-9(19)7-20-12-16-10(17-18-12)8-3-1-2-4-8/h5-6,8,11H,1-4,7H2,(H,16,17,18).
What are the key properties of 5-cyclopentyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole?
5-cyclopentyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole has a molecular weight of 299.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole is sourced from PubChem (CID 18141372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).