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

C14H16FN3 — CID 113395924

IUPAC5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole
SMILESCc1cc(F)cc(-c2n[nH]c(C3CCCC3)n2)c1
InChIInChI=1S/C14H16FN3/c1-9-6-11(8-12(15)7-9)14-16-13(17-18-14)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,16,17,18)
InChIKeyQNQCXSMIBNGQLG-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.58
Rot. Bonds2

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

5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole (PubChem CID 113395924) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole
PubChem CID113395924
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole
SMILESCc1cc(F)cc(-c2n[nH]c(C3CCCC3)n2)c1
InChIInChI=1S/C14H16FN3/c1-9-6-11(8-12(15)7-9)14-16-13(17-18-14)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,16,17,18)
InChIKeyQNQCXSMIBNGQLG-UHFFFAOYSA-N
XLogP3.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole (CID 113395924) is 5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole is Cc1cc(F)cc(-c2n[nH]c(C3CCCC3)n2)c1.
What is the InChIKey of 5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole?
The InChIKey is QNQCXSMIBNGQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9-6-11(8-12(15)7-9)14-16-13(17-18-14)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,16,17,18).
What are the key properties of 5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole?
5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole has a molecular weight of 245.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 113395924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).