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

C14H18N4O — CID 62874312

IUPAC3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methoxypyridine
SMILESCOc1ncccc1-c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C14H18N4O/c1-19-14-11(8-5-9-15-14)13-16-12(17-18-13)10-6-3-2-4-7-10/h5,8-10H,2-4,6-7H2,1H3,(H,16,17,18)
InChIKeyGDMZBCGQMXBNMV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.92
Rot. Bonds3

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

3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methoxypyridine (PubChem CID 62874312) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methoxypyridine.

Molecular Properties

Compound Name3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methoxypyridine
PubChem CID62874312
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methoxypyridine
SMILESCOc1ncccc1-c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C14H18N4O/c1-19-14-11(8-5-9-15-14)13-16-12(17-18-13)10-6-3-2-4-7-10/h5,8-10H,2-4,6-7H2,1H3,(H,16,17,18)
InChIKeyGDMZBCGQMXBNMV-UHFFFAOYSA-N
XLogP2.92
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methoxypyridine?
The IUPAC name of 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methoxypyridine (CID 62874312) is 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methoxypyridine.
What is the SMILES notation for 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methoxypyridine?
The canonical SMILES for 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methoxypyridine is COc1ncccc1-c1n[nH]c(C2CCCCC2)n1.
What is the InChIKey of 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methoxypyridine?
The InChIKey is GDMZBCGQMXBNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-19-14-11(8-5-9-15-14)13-16-12(17-18-13)10-6-3-2-4-7-10/h5,8-10H,2-4,6-7H2,1H3,(H,16,17,18).
What are the key properties of 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methoxypyridine?
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methoxypyridine has a molecular weight of 258.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methoxypyridine is sourced from PubChem (CID 62874312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).