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

C15H18FN3 — CID 63213792

IUPAC5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole
SMILESCc1cc(-c2n[nH]c(C3CCCCC3)n2)ccc1F
InChIInChI=1S/C15H18FN3/c1-10-9-12(7-8-13(10)16)15-17-14(18-19-15)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,18,19)
InChIKeyHZXCFAQVPSKLAY-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.97
Rot. Bonds2

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

5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole (PubChem CID 63213792) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole
PubChem CID63213792
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole
SMILESCc1cc(-c2n[nH]c(C3CCCCC3)n2)ccc1F
InChIInChI=1S/C15H18FN3/c1-10-9-12(7-8-13(10)16)15-17-14(18-19-15)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,18,19)
InChIKeyHZXCFAQVPSKLAY-UHFFFAOYSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole (CID 63213792) is 5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole is Cc1cc(-c2n[nH]c(C3CCCCC3)n2)ccc1F.
What is the InChIKey of 5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole?
The InChIKey is HZXCFAQVPSKLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10-9-12(7-8-13(10)16)15-17-14(18-19-15)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,18,19).
What are the key properties of 5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole?
5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole has a molecular weight of 259.33 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 63213792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).