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

C12H9N5 — CID 40516054

IUPAC4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine
SMILESc1cc(-c2ncnn2-c2ccncc2)ccn1
InChIInChI=1S/C12H9N5/c1-5-13-6-2-10(1)12-15-9-16-17(12)11-3-7-14-8-4-11/h1-9H
InChIKeyVGGIWECUWWKXAZ-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.72
Rot. Bonds2

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

4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine (PubChem CID 40516054) has the molecular formula C12H9N5 and a molecular weight of 223.24 g/mol. Its IUPAC name is 4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine
PubChem CID40516054
Molecular FormulaC12H9N5
Molecular Weight223.24 g/mol
Exact Mass223.09
IUPAC Name4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine
SMILESc1cc(-c2ncnn2-c2ccncc2)ccn1
InChIInChI=1S/C12H9N5/c1-5-13-6-2-10(1)12-15-9-16-17(12)11-3-7-14-8-4-11/h1-9H
InChIKeyVGGIWECUWWKXAZ-UHFFFAOYSA-N
XLogP1.72
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine (CID 40516054) is 4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine is c1cc(-c2ncnn2-c2ccncc2)ccn1.
What is the InChIKey of 4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is VGGIWECUWWKXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5/c1-5-13-6-2-10(1)12-15-9-16-17(12)11-3-7-14-8-4-11/h1-9H.
What are the key properties of 4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine?
4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 223.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 40516054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).