2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine

C23H29N5 — CID 11740204

IUPAC2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
SMILESCCCCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1
InChIInChI=1S/C23H29N5/c1-2-3-11-22-25-26-23(28(22)18-19-9-5-4-6-10-19)20-13-16-27(17-14-20)21-12-7-8-15-24-21/h4-10,12,15,20H,2-3,11,13-14,16-18H2,1H3
InChIKeyIVIVLUOFVMHHJB-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.45
Rot. Bonds7

About 2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine

2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine (PubChem CID 11740204) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
PubChem CID11740204
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
SMILESCCCCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1
InChIInChI=1S/C23H29N5/c1-2-3-11-22-25-26-23(28(22)18-19-9-5-4-6-10-19)20-13-16-27(17-14-20)21-12-7-8-15-24-21/h4-10,12,15,20H,2-3,11,13-14,16-18H2,1H3
InChIKeyIVIVLUOFVMHHJB-UHFFFAOYSA-N
XLogP4.45
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

R121919
CID 9821250
3-(6-fluoropyridin-3-yl)-2-(4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl)pyridine
CID 91618245
4-(4-Methyl-5-((2-methylbenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 937411
3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918281
4,4'-(1H-1,2,4-Triazole-3,5-diyl)bis(pyridine)
CID 2443499
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
4-(4-Ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 931757
4-(5-((4-Fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-YL)pyridine
CID 937714
1,2-Bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethane
CID 327606
4-[6-(4-Methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329456
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine?
The IUPAC name of 2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine (CID 11740204) is 2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine?
The canonical SMILES for 2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine is CCCCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1.
What is the InChIKey of 2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine?
The InChIKey is IVIVLUOFVMHHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-2-3-11-22-25-26-23(28(22)18-19-9-5-4-6-10-19)20-13-16-27(17-14-20)21-12-7-8-15-24-21/h4-10,12,15,20H,2-3,11,13-14,16-18H2,1H3.
What are the key properties of 2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine?
2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine has a molecular weight of 375.52 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine is sourced from PubChem (CID 11740204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).