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

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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).