4-[1-(2-methoxyphenyl)triazol-4-yl]-1,2,3,6-tetrahydropyridine

C14H16N4O — CID 141130392

IUPAC4-[1-(2-methoxyphenyl)triazol-4-yl]-1,2,3,6-tetrahydropyridine
SMILESCOc1ccccc1-n1cc(C2=CCNCC2)nn1
InChIInChI=1S/C14H16N4O/c1-19-14-5-3-2-4-13(14)18-10-12(16-17-18)11-6-8-15-9-7-11/h2-6,10,15H,7-9H2,1H3
InChIKeyNKENJSIISXIFLD-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.65
Rot. Bonds3

About 4-[1-(2-methoxyphenyl)triazol-4-yl]-1,2,3,6-tetrahydropyridine

4-[1-(2-methoxyphenyl)triazol-4-yl]-1,2,3,6-tetrahydropyridine (PubChem CID 141130392) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[1-(2-methoxyphenyl)triazol-4-yl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[1-(2-methoxyphenyl)triazol-4-yl]-1,2,3,6-tetrahydropyridine
PubChem CID141130392
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-[1-(2-methoxyphenyl)triazol-4-yl]-1,2,3,6-tetrahydropyridine
SMILESCOc1ccccc1-n1cc(C2=CCNCC2)nn1
InChIInChI=1S/C14H16N4O/c1-19-14-5-3-2-4-13(14)18-10-12(16-17-18)11-6-8-15-9-7-11/h2-6,10,15H,7-9H2,1H3
InChIKeyNKENJSIISXIFLD-UHFFFAOYSA-N
XLogP1.65
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyphenyl)triazol-4-yl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[1-(2-methoxyphenyl)triazol-4-yl]-1,2,3,6-tetrahydropyridine (CID 141130392) is 4-[1-(2-methoxyphenyl)triazol-4-yl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[1-(2-methoxyphenyl)triazol-4-yl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[1-(2-methoxyphenyl)triazol-4-yl]-1,2,3,6-tetrahydropyridine is COc1ccccc1-n1cc(C2=CCNCC2)nn1.
What is the InChIKey of 4-[1-(2-methoxyphenyl)triazol-4-yl]-1,2,3,6-tetrahydropyridine?
The InChIKey is NKENJSIISXIFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-19-14-5-3-2-4-13(14)18-10-12(16-17-18)11-6-8-15-9-7-11/h2-6,10,15H,7-9H2,1H3.
What are the key properties of 4-[1-(2-methoxyphenyl)triazol-4-yl]-1,2,3,6-tetrahydropyridine?
4-[1-(2-methoxyphenyl)triazol-4-yl]-1,2,3,6-tetrahydropyridine has a molecular weight of 256.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyphenyl)triazol-4-yl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 141130392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).