5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine

C14H18N4 — CID 61339281

IUPAC5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
SMILESCc1ccc(-c2n[nH]c(C3CCCCC3)n2)cn1
InChIInChI=1S/C14H18N4/c1-10-7-8-12(9-15-10)14-16-13(17-18-14)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17,18)
InChIKeyUDICTNBCDGFMKO-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.22
Rot. Bonds2

About 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine

5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine (PubChem CID 61339281) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine.

Molecular Properties

Compound Name5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
PubChem CID61339281
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
SMILESCc1ccc(-c2n[nH]c(C3CCCCC3)n2)cn1
InChIInChI=1S/C14H18N4/c1-10-7-8-12(9-15-10)14-16-13(17-18-14)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17,18)
InChIKeyUDICTNBCDGFMKO-UHFFFAOYSA-N
XLogP3.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline
CID 61338708
5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole
CID 63213792
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline
CID 61337782
5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole
CID 63548842
3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole
CID 107954590
5-cyclopentyl-3-(5-methylfuran-3-yl)-1H-1,2,4-triazole
CID 114821524
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
CID 106753267
2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 67055603
5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole
CID 61336958
3-(3-bromo-4-methylphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 81471748
5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole
CID 113395924
3-(3-chlorophenyl)-5-cyclohexyl-1H-1,2,4-triazole
CID 61337346

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine?
The IUPAC name of 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine (CID 61339281) is 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine.
What is the SMILES notation for 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine?
The canonical SMILES for 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine is Cc1ccc(-c2n[nH]c(C3CCCCC3)n2)cn1.
What is the InChIKey of 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine?
The InChIKey is UDICTNBCDGFMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-7-8-12(9-15-10)14-16-13(17-18-14)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17,18).
What are the key properties of 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine?
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine has a molecular weight of 242.33 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine is sourced from PubChem (CID 61339281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).