2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine

C16H16N4 — CID 112718307

IUPAC2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine
SMILESc1ccc(Cn2cc(CCc3ccccn3)nn2)cc1
InChIInChI=1S/C16H16N4/c1-2-6-14(7-3-1)12-20-13-16(18-19-20)10-9-15-8-4-5-11-17-15/h1-8,11,13H,9-10,12H2
InChIKeyFDYHZCMYKJLVKP-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.51
Rot. Bonds5

About 2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine

2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine (PubChem CID 112718307) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine
PubChem CID112718307
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine
SMILESc1ccc(Cn2cc(CCc3ccccn3)nn2)cc1
InChIInChI=1S/C16H16N4/c1-2-6-14(7-3-1)12-20-13-16(18-19-20)10-9-15-8-4-5-11-17-15/h1-8,11,13H,9-10,12H2
InChIKeyFDYHZCMYKJLVKP-UHFFFAOYSA-N
XLogP2.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine?
The IUPAC name of 2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine (CID 112718307) is 2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine.
What is the SMILES notation for 2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine?
The canonical SMILES for 2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine is c1ccc(Cn2cc(CCc3ccccn3)nn2)cc1.
What is the InChIKey of 2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine?
The InChIKey is FDYHZCMYKJLVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-6-14(7-3-1)12-20-13-16(18-19-20)10-9-15-8-4-5-11-17-15/h1-8,11,13H,9-10,12H2.
What are the key properties of 2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine?
2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine has a molecular weight of 264.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine is sourced from PubChem (CID 112718307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).