2,6-bis(1-octyltriazol-4-yl)pyridine

C25H39N7 — CID 102500303

IUPAC2,6-bis(1-octyltriazol-4-yl)pyridine
SMILESCCCCCCCCn1cc(-c2cccc(-c3cn(CCCCCCCC)nn3)n2)nn1
InChIInChI=1S/C25H39N7/c1-3-5-7-9-11-13-18-31-20-24(27-29-31)22-16-15-17-23(26-22)25-21-32(30-28-25)19-14-12-10-8-6-4-2/h15-17,20-21H,3-14,18-19H2,1-2H3
InChIKeyVVFOWGMLHUQDFN-UHFFFAOYSA-N
MW437.64 g/mol
LogP6.32
Rot. Bonds16

About 2,6-bis(1-octyltriazol-4-yl)pyridine

2,6-bis(1-octyltriazol-4-yl)pyridine (PubChem CID 102500303) has the molecular formula C25H39N7 and a molecular weight of 437.64 g/mol. Its IUPAC name is 2,6-bis(1-octyltriazol-4-yl)pyridine.

Molecular Properties

Compound Name2,6-bis(1-octyltriazol-4-yl)pyridine
PubChem CID102500303
Molecular FormulaC25H39N7
Molecular Weight437.64 g/mol
Exact Mass437.33
IUPAC Name2,6-bis(1-octyltriazol-4-yl)pyridine
SMILESCCCCCCCCn1cc(-c2cccc(-c3cn(CCCCCCCC)nn3)n2)nn1
InChIInChI=1S/C25H39N7/c1-3-5-7-9-11-13-18-31-20-24(27-29-31)22-16-15-17-23(26-22)25-21-32(30-28-25)19-14-12-10-8-6-4-2/h15-17,20-21H,3-14,18-19H2,1-2H3
InChIKeyVVFOWGMLHUQDFN-UHFFFAOYSA-N
XLogP6.32
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.64
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,6-bis(1-octyltriazol-4-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-(1h-[1,2,3]Triazol-4-yl)pyridine
CID 9812807
3-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9877457
5-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9942221
2-methyl-6-(1H-1,2,3-triazol-5-yl)pyridine
CID 9964176
4-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9964177
[1,2,3]Triazolo[1,5-a]pyridine
CID 219470
3-[4-[[4-(4-Methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155542000
3-[1-[6-[4-(2-Phenylphenyl)triazol-1-yl]hexyl]triazol-4-yl]pyridine
CID 86306022
3-[1-[7-[4-(2-Phenylphenyl)triazol-1-yl]heptyl]triazol-4-yl]pyridine
CID 86306023
3-[1-[8-[4-(2-Phenylphenyl)triazol-1-yl]octyl]triazol-4-yl]pyridine
CID 86306024
1-phenyl-1H-[1,2,3]triazolo[4,5-c]pyridine
CID 661622
2-(1-(p-tolyl)-1H-1,2,3-triazol-4-yl)pyridine
CID 56835100

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1-octyltriazol-4-yl)pyridine?
The IUPAC name of 2,6-bis(1-octyltriazol-4-yl)pyridine (CID 102500303) is 2,6-bis(1-octyltriazol-4-yl)pyridine.
What is the SMILES notation for 2,6-bis(1-octyltriazol-4-yl)pyridine?
The canonical SMILES for 2,6-bis(1-octyltriazol-4-yl)pyridine is CCCCCCCCn1cc(-c2cccc(-c3cn(CCCCCCCC)nn3)n2)nn1.
What is the InChIKey of 2,6-bis(1-octyltriazol-4-yl)pyridine?
The InChIKey is VVFOWGMLHUQDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N7/c1-3-5-7-9-11-13-18-31-20-24(27-29-31)22-16-15-17-23(26-22)25-21-32(30-28-25)19-14-12-10-8-6-4-2/h15-17,20-21H,3-14,18-19H2,1-2H3.
What are the key properties of 2,6-bis(1-octyltriazol-4-yl)pyridine?
2,6-bis(1-octyltriazol-4-yl)pyridine has a molecular weight of 437.64 g/mol, XLogP of 6.32, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1-octyltriazol-4-yl)pyridine is sourced from PubChem (CID 102500303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).