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

C16H12N6 — CID 86171161

IUPAC2-(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)pyridine
SMILESc1ccc(-c2nnc(-c3ccccn3)n2-n2cccc2)nc1
InChIInChI=1S/C16H12N6/c1-3-9-17-13(7-1)15-19-20-16(14-8-2-4-10-18-14)22(15)21-11-5-6-12-21/h1-12H
InChIKeyJRJNJKONMPCWKN-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.52
Rot. Bonds3

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

2-(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)pyridine (PubChem CID 86171161) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name2-(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)pyridine
PubChem CID86171161
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name2-(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)pyridine
SMILESc1ccc(-c2nnc(-c3ccccn3)n2-n2cccc2)nc1
InChIInChI=1S/C16H12N6/c1-3-9-17-13(7-1)15-19-20-16(14-8-2-4-10-18-14)22(15)21-11-5-6-12-21/h1-12H
InChIKeyJRJNJKONMPCWKN-UHFFFAOYSA-N
XLogP2.52
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
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
3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine
CID 315109
3,5-bis(2-methylpyridin-4-yl)-1H-1,2,4-triazole
CID 20309751
5,8-Dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 71153264
2-Methyl-7-(2-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 610950
3,5,6-Tri(pyridin-2-yl)-1,2,4-triazine
CID 473557
2-(3-methyl-1H-1,2,4-triazol-5-yl)pyridine
CID 12787364
5-(pyridin-2-yl)-4H-1,2,4-triazol-3-amine
CID 12011792
3-(Pyridin-4-yl)imidazo[1,2-b]pyridazine
CID 52946794

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 2-(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)pyridine (CID 86171161) is 2-(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 2-(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 2-(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)pyridine is c1ccc(-c2nnc(-c3ccccn3)n2-n2cccc2)nc1.
What is the InChIKey of 2-(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is JRJNJKONMPCWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c1-3-9-17-13(7-1)15-19-20-16(14-8-2-4-10-18-14)22(15)21-11-5-6-12-21/h1-12H.
What are the key properties of 2-(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)pyridine?
2-(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 288.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 86171161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).