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

C12H9N5 — CID 918281

IUPAC3-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESc1cncc(-c2n[nH]c(-c3ccncc3)n2)c1
InChIInChI=1S/C12H9N5/c1-2-10(8-14-5-1)12-15-11(16-17-12)9-3-6-13-7-4-9/h1-8H,(H,15,16,17)
InChIKeyWIHUWTSKKGOEGI-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.93
Rot. Bonds2

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

3-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine (PubChem CID 918281) has the molecular formula C12H9N5 and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name3-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
PubChem CID918281
Molecular FormulaC12H9N5
Molecular Weight223.24 g/mol
Exact Mass223.09
IUPAC Name3-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESc1cncc(-c2n[nH]c(-c3ccncc3)n2)c1
InChIInChI=1S/C12H9N5/c1-2-10(8-14-5-1)12-15-11(16-17-12)9-3-6-13-7-4-9/h1-8H,(H,15,16,17)
InChIKeyWIHUWTSKKGOEGI-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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Related Compounds

Topiroxostat
CID 5288320
2-(3-(Pyridin-4-yl)-1H-1,2,4-triazol-5-yl)pyridine
CID 2803172
4-Amino-3,5-di-2-pyridyl-4H-1,2,4-triazole
CID 571203
2-(3-(2-Pyridinyl)-1H-1,2,4-triazol-5-yl)pyridine
CID 314836
4,4'-(1H-1,2,4-Triazole-3,5-diyl)bis(pyridine)
CID 2443499
5-(pyridin-4-yl)-4H-1,2,4-triazol-3-amine
CID 199040
3-(Pyridin-3-yl)-1H-1,2,4-triazol-5-amine
CID 215363
3,5-bis(2-methylpyridin-4-yl)-1H-1,2,4-triazole
CID 20309751
Isonicotinaldehyde [4,6-di(1-pyrrolidinyl)-1,3,5-triazin-2-yl]hydrazone
CID 9592854
2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 2501092
N-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-5-amine
CID 294856
1H-1,2,4-Triazole, 5-(4-pyridyl)-
CID 203621

Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 3-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine (CID 918281) is 3-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 3-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 3-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine is c1cncc(-c2n[nH]c(-c3ccncc3)n2)c1.
What is the InChIKey of 3-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The InChIKey is WIHUWTSKKGOEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5/c1-2-10(8-14-5-1)12-15-11(16-17-12)9-3-6-13-7-4-9/h1-8H,(H,15,16,17).
What are the key properties of 3-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
3-(5-pyridin-4-yl-1H-1,2,4-triazol-3-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 3-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 918281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).