2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine

C20H18N6 — CID 66830045

IUPAC2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine
SMILESc1ccc(C(Cc2cn(Cc3cccnc3)nn2)c2ccccn2)nc1
InChIInChI=1S/C20H18N6/c1-3-10-22-19(7-1)18(20-8-2-4-11-23-20)12-17-15-26(25-24-17)14-16-6-5-9-21-13-16/h1-11,13,15,18H,12,14H2
InChIKeyPCWMVIQSMIDTGK-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.89
Rot. Bonds6

About 2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine

2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine (PubChem CID 66830045) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine
PubChem CID66830045
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine
SMILESc1ccc(C(Cc2cn(Cc3cccnc3)nn2)c2ccccn2)nc1
InChIInChI=1S/C20H18N6/c1-3-10-22-19(7-1)18(20-8-2-4-11-23-20)12-17-15-26(25-24-17)14-16-6-5-9-21-13-16/h1-11,13,15,18H,12,14H2
InChIKeyPCWMVIQSMIDTGK-UHFFFAOYSA-N
XLogP2.89
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]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 2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine?
The IUPAC name of 2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine (CID 66830045) is 2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine.
What is the SMILES notation for 2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine?
The canonical SMILES for 2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine is c1ccc(C(Cc2cn(Cc3cccnc3)nn2)c2ccccn2)nc1.
What is the InChIKey of 2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine?
The InChIKey is PCWMVIQSMIDTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-3-10-22-19(7-1)18(20-8-2-4-11-23-20)12-17-15-26(25-24-17)14-16-6-5-9-21-13-16/h1-11,13,15,18H,12,14H2.
What are the key properties of 2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine?
2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine has a molecular weight of 342.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine is sourced from PubChem (CID 66830045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).