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

C20H16N4 — CID 155556917

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 Name3-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine
PubChem CID155556917
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name3-[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
XLogP4.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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).