2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine

C22H28N6 — CID 75591117

IUPAC2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine
SMILESCC1NNC(C)C1CCc1nc(CCc2ccccc2)nn1-c1ccccn1
InChIInChI=1S/C22H28N6/c1-16-19(17(2)26-25-16)12-14-22-24-20(13-11-18-8-4-3-5-9-18)27-28(22)21-10-6-7-15-23-21/h3-10,15-17,19,25-26H,11-14H2,1-2H3
InChIKeyTUBMQYQWRUBQPD-UHFFFAOYSA-N
MW376.51 g/mol
LogP2.88
Rot. Bonds7

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

2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine (PubChem CID 75591117) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine
PubChem CID75591117
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine
SMILESCC1NNC(C)C1CCc1nc(CCc2ccccc2)nn1-c1ccccn1
InChIInChI=1S/C22H28N6/c1-16-19(17(2)26-25-16)12-14-22-24-20(13-11-18-8-4-3-5-9-18)27-28(22)21-10-6-7-15-23-21/h3-10,15-17,19,25-26H,11-14H2,1-2H3
InChIKeyTUBMQYQWRUBQPD-UHFFFAOYSA-N
XLogP2.88
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(methylsulfonylmethyl)-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine
CID 50970750
2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine
CID 50985323
2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine
CID 50953513
2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine
CID 50970621
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
2-[5-(chloromethyl)-3-phenyl-1,2,4-triazol-1-yl]pyridine
CID 86677493
1-(1,3-benzodioxol-5-yl)-5-(2-imidazol-1-ylethyl)-3-(2-phenylethyl)-1,2,4-triazole
CID 50956326
2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine
CID 133377119
(2R)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 97445358
(2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 97445359
2-(3-ethoxy-5-methylpyrazol-1-yl)pyridine
CID 101498728
6-methyl-4-[2-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1H-pyridin-2-one
CID 50964388

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine (CID 75591117) is 2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine is CC1NNC(C)C1CCc1nc(CCc2ccccc2)nn1-c1ccccn1.
What is the InChIKey of 2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine?
The InChIKey is TUBMQYQWRUBQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-16-19(17(2)26-25-16)12-14-22-24-20(13-11-18-8-4-3-5-9-18)27-28(22)21-10-6-7-15-23-21/h3-10,15-17,19,25-26H,11-14H2,1-2H3.
What are the key properties of 2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine?
2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine has a molecular weight of 376.51 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 75591117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).