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

C15H19N3O — CID 61337352

IUPAC5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole
SMILESCOc1ccccc1-c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C15H19N3O/c1-19-13-10-6-5-9-12(13)15-16-14(17-18-15)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,17,18)
InChIKeyCZYQQZNHDWMGEG-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.53
Rot. Bonds3

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

5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole (PubChem CID 61337352) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole
PubChem CID61337352
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole
SMILESCOc1ccccc1-c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C15H19N3O/c1-19-13-10-6-5-9-12(13)15-16-14(17-18-15)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,17,18)
InChIKeyCZYQQZNHDWMGEG-UHFFFAOYSA-N
XLogP3.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclohexyl-3-(2,6-dimethoxyphenyl)-1H-1,2,4-triazole
CID 61336565
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methoxypyridine
CID 62874312
5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole
CID 61336548
5-cyclopentyl-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole
CID 102883587
3-(5-bromo-2-methoxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 82489906
2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-di(propan-2-yl)benzamide
CID 72890881
2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-6-methylaniline
CID 86820110
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 61336403
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline
CID 60680940
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine
CID 61338696
3-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 81266490
5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole
CID 63213792

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole (CID 61337352) is 5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole is COc1ccccc1-c1n[nH]c(C2CCCCC2)n1.
What is the InChIKey of 5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole?
The InChIKey is CZYQQZNHDWMGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-13-10-6-5-9-12(13)15-16-14(17-18-15)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,17,18).
What are the key properties of 5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole?
5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole has a molecular weight of 257.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 61337352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).