2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine

C21H19N5 — CID 50985323

IUPAC2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine
SMILESc1ccc(CCc2nc(Cc3cccnc3)n(-c3ccccn3)n2)cc1
InChIInChI=1S/C21H19N5/c1-2-7-17(8-3-1)11-12-19-24-21(15-18-9-6-13-22-16-18)26(25-19)20-10-4-5-14-23-20/h1-10,13-14,16H,11-12,15H2
InChIKeyYBHPSHVZBGAQAL-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.43
Rot. Bonds6

About 2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine

2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine (PubChem CID 50985323) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine
PubChem CID50985323
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine
SMILESc1ccc(CCc2nc(Cc3cccnc3)n(-c3ccccn3)n2)cc1
InChIInChI=1S/C21H19N5/c1-2-7-17(8-3-1)11-12-19-24-21(15-18-9-6-13-22-16-18)26(25-19)20-10-4-5-14-23-20/h1-10,13-14,16H,11-12,15H2
InChIKeyYBHPSHVZBGAQAL-UHFFFAOYSA-N
XLogP3.43
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(methylsulfonylmethyl)-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine
CID 50970750
2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine
CID 75591117
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine
CID 50953513
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine
CID 131946942
2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine
CID 50970621
2-[5-(chloromethyl)-3-phenyl-1,2,4-triazol-1-yl]pyridine
CID 86677493
4-bromo-5-phenyl-1-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 171691778
5-[[2-(3-fluorophenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indazole
CID 166399484
3-(benzylsulfanylmethyl)pyridine
CID 3025143
3-methylpyridine;propylbenzene;2-propylpyridine
CID 142009521

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine (CID 50985323) is 2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine is c1ccc(CCc2nc(Cc3cccnc3)n(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine?
The InChIKey is YBHPSHVZBGAQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-2-7-17(8-3-1)11-12-19-24-21(15-18-9-6-13-22-16-18)26(25-19)20-10-4-5-14-23-20/h1-10,13-14,16H,11-12,15H2.
What are the key properties of 2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine?
2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine has a molecular weight of 341.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 50985323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).