3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine

Name: 3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₁₆N₄ — CID 155556917

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine

SMILESc1ccc(-c2cn(Cc3ccc(-c4cccnc4)cc3)nn2)cc1

InChIInChI=1S/C20H16N4/c1-2-5-18(6-3-1)20-15-24(23-22-20)14-16-8-10-17(11-9-16)19-7-4-12-21-13-19/h1-13,15H,14H2

InChIKeyTYNIZPFUWFETEF-UHFFFAOYSA-N

MW312.38 g/mol

LogP4.06

Rot. Bonds4

About 3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine

3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine (PubChem CID 155556917) has the molecular formula C₂₀H₁₆N₄ and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine.

Molecular Properties

Compound Name	3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine
PubChem CID	155556917
Molecular Formula	C₂₀H₁₆N₄
Molecular Weight	312.38 g/mol
Exact Mass	312.14
IUPAC Name	3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine
SMILES	c1ccc(-c2cn(Cc3ccc(-c4cccnc4)cc3)nn2)cc1
InChI	InChI=1S/C20H16N4/c1-2-5-18(6-3-1)20-15-24(23-22-20)14-16-8-10-17(11-9-16)19-7-4-12-21-13-19/h1-13,15H,14H2
InChIKey	TYNIZPFUWFETEF-UHFFFAOYSA-N
XLogP	4.06
TPSA	43.60 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.38
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine?

The IUPAC name of 3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine (CID 155556917) is 3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine.

What is the SMILES notation for 3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine?

The canonical SMILES for 3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine is c1ccc(-c2cn(Cc3ccc(-c4cccnc4)cc3)nn2)cc1.

What is the InChIKey of 3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine?

The InChIKey is TYNIZPFUWFETEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-2-5-18(6-3-1)20-15-24(23-22-20)14-16-8-10-17(11-9-16)19-7-4-12-21-13-19/h1-13,15H,14H2.

What are the key properties of 3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine?

3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine has a molecular weight of 312.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine is sourced from PubChem (CID 155556917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155556917 — identifiers, structure, computed properties (public domain)

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