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

C14H15F2N3 — CID 61336958

IUPAC5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole
SMILESFc1cc(F)cc(-c2n[nH]c(C3CCCCC3)n2)c1
InChIInChI=1S/C14H15F2N3/c15-11-6-10(7-12(16)8-11)14-17-13(18-19-14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,17,18,19)
InChIKeyVWXYJBRGMCFKCM-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.80
Rot. Bonds2

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

5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole (PubChem CID 61336958) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole
PubChem CID61336958
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole
SMILESFc1cc(F)cc(-c2n[nH]c(C3CCCCC3)n2)c1
InChIInChI=1S/C14H15F2N3/c15-11-6-10(7-12(16)8-11)14-17-13(18-19-14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,17,18,19)
InChIKeyVWXYJBRGMCFKCM-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole (CID 61336958) is 5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole is Fc1cc(F)cc(-c2n[nH]c(C3CCCCC3)n2)c1.
What is the InChIKey of 5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole?
The InChIKey is VWXYJBRGMCFKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c15-11-6-10(7-12(16)8-11)14-17-13(18-19-14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,17,18,19).
What are the key properties of 5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole?
5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole has a molecular weight of 263.29 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 61336958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).