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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Related Compounds

Topiroxostat
CID 5288320
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
3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918281
4,4'-(1H-1,2,4-Triazole-3,5-diyl)bis(pyridine)
CID 2443499
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
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-((4-Fluorobenzyl)thio)-5-(2-pyridinyl)-4H-1,2,4-triazol-4-ylamine
CID 936370
3,5-bis(2-methylpyridin-4-yl)-1H-1,2,4-triazole
CID 20309751
5-Bromo-N~4~-(3-Methyl-1h-Pyrazol-5-Yl)-N~2~-[2-(Pyridin-3-Yl)ethyl]pyrimidine-2,4-Diamine
CID 56973548
4,6-dimethyl-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]pyrimidine
CID 9609651

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).