2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine

C12H9N5 — CID 2803172

IUPAC2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine
SMILESc1ccc(-c2nc(-c3ccncc3)n[nH]2)nc1
InChIInChI=1S/C12H9N5/c1-2-6-14-10(3-1)12-15-11(16-17-12)9-4-7-13-8-5-9/h1-8H,(H,15,16,17)
InChIKeyWOFXUCJTFGKKIF-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.93
Rot. Bonds2

About 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine

2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 2803172) has the molecular formula C12H9N5 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Name2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine
PubChem CID2803172
Molecular FormulaC12H9N5
Molecular Weight223.24 g/mol
Exact Mass223.09
IUPAC Name2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine
SMILESc1ccc(-c2nc(-c3ccncc3)n[nH]2)nc1
InChIInChI=1S/C12H9N5/c1-2-6-14-10(3-1)12-15-11(16-17-12)9-4-7-13-8-5-9/h1-8H,(H,15,16,17)
InChIKeyWOFXUCJTFGKKIF-UHFFFAOYSA-N
XLogP1.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine (CID 2803172) is 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine is c1ccc(-c2nc(-c3ccncc3)n[nH]2)nc1.
What is the InChIKey of 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is WOFXUCJTFGKKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5/c1-2-6-14-10(3-1)12-15-11(16-17-12)9-4-7-13-8-5-9/h1-8H,(H,15,16,17).
What are the key properties of 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine?
2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 223.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 2803172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).