3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C15H19N3O — CID 91889160

IUPAC3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(CCc2nnc3n2CCCC3)cc1
InChIInChI=1S/C15H19N3O/c1-19-13-8-5-12(6-9-13)7-10-15-17-16-14-4-2-3-11-18(14)15/h5-6,8-9H,2-4,7,10-11H2,1H3
InChIKeyICVJRWZOZNZTTO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.41
Rot. Bonds4

About 3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 91889160) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID91889160
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(CCc2nnc3n2CCCC3)cc1
InChIInChI=1S/C15H19N3O/c1-19-13-8-5-12(6-9-13)7-10-15-17-16-14-4-2-3-11-18(14)15/h5-6,8-9H,2-4,7,10-11H2,1H3
InChIKeyICVJRWZOZNZTTO-UHFFFAOYSA-N
XLogP2.41
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 91889160) is 3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(CCc2nnc3n2CCCC3)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ICVJRWZOZNZTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-13-8-5-12(6-9-13)7-10-15-17-16-14-4-2-3-11-18(14)15/h5-6,8-9H,2-4,7,10-11H2,1H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 257.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 91889160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).