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

C12H9N5 — CID 174777630

IUPAC2-(3-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine
SMILESC1=NC(c2ccccn2)(c2ccccn2)N=N1
InChIInChI=1S/C12H9N5/c1-3-7-13-10(5-1)12(15-9-16-17-12)11-6-2-4-8-14-11/h1-9H
InChIKeyCNSASHWBDOFQCV-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.17
Rot. Bonds2

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

2-(3-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine (PubChem CID 174777630) has the molecular formula C12H9N5 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-(3-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name2-(3-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine
PubChem CID174777630
Molecular FormulaC12H9N5
Molecular Weight223.24 g/mol
Exact Mass223.09
IUPAC Name2-(3-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine
SMILESC1=NC(c2ccccn2)(c2ccccn2)N=N1
InChIInChI=1S/C12H9N5/c1-3-7-13-10(5-1)12(15-9-16-17-12)11-6-2-4-8-14-11/h1-9H
InChIKeyCNSASHWBDOFQCV-UHFFFAOYSA-N
XLogP2.17
TPSA62.86 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 ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 2-(3-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine (CID 174777630) is 2-(3-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 2-(3-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 2-(3-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine is C1=NC(c2ccccn2)(c2ccccn2)N=N1.
What is the InChIKey of 2-(3-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is CNSASHWBDOFQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5/c1-3-7-13-10(5-1)12(15-9-16-17-12)11-6-2-4-8-14-11/h1-9H.
What are the key properties of 2-(3-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine?
2-(3-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 223.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-2-yl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 174777630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).