5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine

C16H23BrN4 — CID 19976626

IUPAC5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine
SMILESCCCCc1nc(CCCC)n(Cc2ccc(Br)cn2)n1
InChIInChI=1S/C16H23BrN4/c1-3-5-7-15-19-16(8-6-4-2)21(20-15)12-14-10-9-13(17)11-18-14/h9-11H,3-8,12H2,1-2H3
InChIKeyURJNMZBZKXLVKY-UHFFFAOYSA-N
MW351.29 g/mol
LogP4.17
Rot. Bonds8

About 5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine

5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine (PubChem CID 19976626) has the molecular formula C16H23BrN4 and a molecular weight of 351.29 g/mol. Its IUPAC name is 5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine
PubChem CID19976626
Molecular FormulaC16H23BrN4
Molecular Weight351.29 g/mol
Exact Mass350.11
IUPAC Name5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine
SMILESCCCCc1nc(CCCC)n(Cc2ccc(Br)cn2)n1
InChIInChI=1S/C16H23BrN4/c1-3-5-7-15-19-16(8-6-4-2)21(20-15)12-14-10-9-13(17)11-18-14/h9-11H,3-8,12H2,1-2H3
InChIKeyURJNMZBZKXLVKY-UHFFFAOYSA-N
XLogP4.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine?
The IUPAC name of 5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine (CID 19976626) is 5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine?
The canonical SMILES for 5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine is CCCCc1nc(CCCC)n(Cc2ccc(Br)cn2)n1.
What is the InChIKey of 5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine?
The InChIKey is URJNMZBZKXLVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4/c1-3-5-7-15-19-16(8-6-4-2)21(20-15)12-14-10-9-13(17)11-18-14/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine?
5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine has a molecular weight of 351.29 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine is sourced from PubChem (CID 19976626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).