2-(1-phenyltriazol-4-yl)pyridine

C13H10N4 — CID 25138594

IUPAC2-(1-phenyltriazol-4-yl)pyridine
SMILESc1ccc(-n2cc(-c3ccccn3)nn2)cc1
InChIInChI=1S/C13H10N4/c1-2-6-11(7-3-1)17-10-13(15-16-17)12-8-4-5-9-14-12/h1-10H
InChIKeyDZISHGNIVHNGOL-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.33
Rot. Bonds2

About 2-(1-phenyltriazol-4-yl)pyridine

2-(1-phenyltriazol-4-yl)pyridine (PubChem CID 25138594) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(1-phenyltriazol-4-yl)pyridine.

Molecular Properties

Compound Name2-(1-phenyltriazol-4-yl)pyridine
PubChem CID25138594
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name2-(1-phenyltriazol-4-yl)pyridine
SMILESc1ccc(-n2cc(-c3ccccn3)nn2)cc1
InChIInChI=1S/C13H10N4/c1-2-6-11(7-3-1)17-10-13(15-16-17)12-8-4-5-9-14-12/h1-10H
InChIKeyDZISHGNIVHNGOL-UHFFFAOYSA-N
XLogP2.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltriazol-4-yl)pyridine?
The IUPAC name of 2-(1-phenyltriazol-4-yl)pyridine (CID 25138594) is 2-(1-phenyltriazol-4-yl)pyridine.
What is the SMILES notation for 2-(1-phenyltriazol-4-yl)pyridine?
The canonical SMILES for 2-(1-phenyltriazol-4-yl)pyridine is c1ccc(-n2cc(-c3ccccn3)nn2)cc1.
What is the InChIKey of 2-(1-phenyltriazol-4-yl)pyridine?
The InChIKey is DZISHGNIVHNGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c1-2-6-11(7-3-1)17-10-13(15-16-17)12-8-4-5-9-14-12/h1-10H.
What are the key properties of 2-(1-phenyltriazol-4-yl)pyridine?
2-(1-phenyltriazol-4-yl)pyridine has a molecular weight of 222.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltriazol-4-yl)pyridine is sourced from PubChem (CID 25138594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).