2,6-bis[(4-propyltriazol-1-yl)methyl]pyridine

C17H23N7 — CID 102194981

IUPAC2,6-bis[(4-propyltriazol-1-yl)methyl]pyridine
SMILESCCCc1cn(Cc2cccc(Cn3cc(CCC)nn3)n2)nn1
InChIInChI=1S/C17H23N7/c1-3-6-16-12-23(21-19-16)10-14-8-5-9-15(18-14)11-24-13-17(7-4-2)20-22-24/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3
InChIKeyRYYRKBAYLRRVKC-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.27
Rot. Bonds8

About 2,6-bis[(4-propyltriazol-1-yl)methyl]pyridine

2,6-bis[(4-propyltriazol-1-yl)methyl]pyridine (PubChem CID 102194981) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2,6-bis[(4-propyltriazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2,6-bis[(4-propyltriazol-1-yl)methyl]pyridine
PubChem CID102194981
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name2,6-bis[(4-propyltriazol-1-yl)methyl]pyridine
SMILESCCCc1cn(Cc2cccc(Cn3cc(CCC)nn3)n2)nn1
InChIInChI=1S/C17H23N7/c1-3-6-16-12-23(21-19-16)10-14-8-5-9-15(18-14)11-24-13-17(7-4-2)20-22-24/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3
InChIKeyRYYRKBAYLRRVKC-UHFFFAOYSA-N
XLogP2.27
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,6-bis[(4-propyltriazol-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

2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-methylpyridine
CID 79261155
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-methoxypyridine
CID 63985931
1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole
CID 112717132
1-benzyl-4-pentyltriazole
CID 71590860
2-[[4-[4-[1-(quinolin-2-ylmethyl)triazol-4-yl]butyl]triazol-1-yl]methyl]quinoline
CID 102300514
N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66191763
1-(3-methylbutyl)-4-propyltriazole
CID 68679793
2-[[4-(2-chloroethyl)triazol-1-yl]methyl]quinoline
CID 62401191
1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
CID 106229058
4-[[4-(bromomethyl)triazol-1-yl]methyl]-2-propyl-1,3-thiazole
CID 62400670
4-(2-chloroethyl)-1-[(4-ethylphenyl)methyl]triazole
CID 62401767
1-benzyl-4-(2-phenylethyl)triazole
CID 56666792

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(4-propyltriazol-1-yl)methyl]pyridine?
The IUPAC name of 2,6-bis[(4-propyltriazol-1-yl)methyl]pyridine (CID 102194981) is 2,6-bis[(4-propyltriazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2,6-bis[(4-propyltriazol-1-yl)methyl]pyridine?
The canonical SMILES for 2,6-bis[(4-propyltriazol-1-yl)methyl]pyridine is CCCc1cn(Cc2cccc(Cn3cc(CCC)nn3)n2)nn1.
What is the InChIKey of 2,6-bis[(4-propyltriazol-1-yl)methyl]pyridine?
The InChIKey is RYYRKBAYLRRVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-3-6-16-12-23(21-19-16)10-14-8-5-9-15(18-14)11-24-13-17(7-4-2)20-22-24/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of 2,6-bis[(4-propyltriazol-1-yl)methyl]pyridine?
2,6-bis[(4-propyltriazol-1-yl)methyl]pyridine has a molecular weight of 325.42 g/mol, XLogP of 2.27, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(4-propyltriazol-1-yl)methyl]pyridine is sourced from PubChem (CID 102194981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).