5-ethyl-2-[[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]pyridine

C22H27N5 — CID 46990504

IUPAC5-ethyl-2-[[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]pyridine
SMILESCCc1ccc(CN2CCC(Cc3nncn3-c3ccccc3)CC2)nc1
InChIInChI=1S/C22H27N5/c1-2-18-8-9-20(23-15-18)16-26-12-10-19(11-13-26)14-22-25-24-17-27(22)21-6-4-3-5-7-21/h3-9,15,17,19H,2,10-14,16H2,1H3
InChIKeyCUVQMZTVJHAGRA-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.68
Rot. Bonds6

About 5-ethyl-2-[[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]pyridine

5-ethyl-2-[[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]pyridine (PubChem CID 46990504) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-ethyl-2-[[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name5-ethyl-2-[[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]pyridine
PubChem CID46990504
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name5-ethyl-2-[[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]pyridine
SMILESCCc1ccc(CN2CCC(Cc3nncn3-c3ccccc3)CC2)nc1
InChIInChI=1S/C22H27N5/c1-2-18-8-9-20(23-15-18)16-26-12-10-19(11-13-26)14-22-25-24-17-27(22)21-6-4-3-5-7-21/h3-9,15,17,19H,2,10-14,16H2,1H3
InChIKeyCUVQMZTVJHAGRA-UHFFFAOYSA-N
XLogP3.68
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-2-[[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]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

[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 79739861
4-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]morpholine
CID 77091868
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 136580193
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
CID 118638744
5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole
CID 70742332
1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine
CID 77096922
(1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 28739233
(1R)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 28739230
5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine
CID 166683418
1-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]isoquinoline
CID 50950975

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 5-ethyl-2-[[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]pyridine (CID 46990504) is 5-ethyl-2-[[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 5-ethyl-2-[[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 5-ethyl-2-[[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]pyridine is CCc1ccc(CN2CCC(Cc3nncn3-c3ccccc3)CC2)nc1.
What is the InChIKey of 5-ethyl-2-[[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]pyridine?
The InChIKey is CUVQMZTVJHAGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-2-18-8-9-20(23-15-18)16-26-12-10-19(11-13-26)14-22-25-24-17-27(22)21-6-4-3-5-7-21/h3-9,15,17,19H,2,10-14,16H2,1H3.
What are the key properties of 5-ethyl-2-[[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]pyridine?
5-ethyl-2-[[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]pyridine has a molecular weight of 361.49 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 46990504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).