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

C14H16FN3O — CID 102883587

IUPAC5-cyclopentyl-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole
SMILESCOc1ccc(-c2n[nH]c(C3CCCC3)n2)c(F)c1
InChIInChI=1S/C14H16FN3O/c1-19-10-6-7-11(12(15)8-10)14-16-13(17-18-14)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,16,17,18)
InChIKeyMSQKDFAMOBMYFE-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.28
Rot. Bonds3

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

5-cyclopentyl-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole (PubChem CID 102883587) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-cyclopentyl-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopentyl-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole
PubChem CID102883587
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name5-cyclopentyl-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole
SMILESCOc1ccc(-c2n[nH]c(C3CCCC3)n2)c(F)c1
InChIInChI=1S/C14H16FN3O/c1-19-10-6-7-11(12(15)8-10)14-16-13(17-18-14)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,16,17,18)
InChIKeyMSQKDFAMOBMYFE-UHFFFAOYSA-N
XLogP3.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole
CID 61336548
5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole
CID 61337352
5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole
CID 63213792
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methoxypyridine
CID 62874312
5-cyclohexyl-3-(2,6-dimethoxyphenyl)-1H-1,2,4-triazole
CID 61336565
3-(3-bromo-2-fluorophenyl)-5-cyclopentyl-1H-1,2,4-triazole
CID 107954589
3-(4-bromo-2-chlorophenyl)-5-cyclopentyl-1H-1,2,4-triazole
CID 61338312
5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole
CID 61336958
5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole
CID 113395924
3-(5-bromo-2-methoxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 82489906
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4,5-difluoroaniline
CID 62865548
3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline
CID 63019648

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopentyl-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole (CID 102883587) is 5-cyclopentyl-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopentyl-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopentyl-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole is COc1ccc(-c2n[nH]c(C3CCCC3)n2)c(F)c1.
What is the InChIKey of 5-cyclopentyl-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole?
The InChIKey is MSQKDFAMOBMYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-19-10-6-7-11(12(15)8-10)14-16-13(17-18-14)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,16,17,18).
What are the key properties of 5-cyclopentyl-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole?
5-cyclopentyl-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole has a molecular weight of 261.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 102883587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).