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

C17H23N7 — CID 102382540

IUPAC2,6-bis(1-butyltriazol-4-yl)pyridine
SMILESCCCCn1cc(-c2cccc(-c3cn(CCCC)nn3)n2)nn1
InChIInChI=1S/C17H23N7/c1-3-5-10-23-12-16(19-21-23)14-8-7-9-15(18-14)17-13-24(22-20-17)11-6-4-2/h7-9,12-13H,3-6,10-11H2,1-2H3
InChIKeyGAIOUKHWOJVARF-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.20
Rot. Bonds8

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

2,6-bis(1-butyltriazol-4-yl)pyridine (PubChem CID 102382540) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2,6-bis(1-butyltriazol-4-yl)pyridine.

Molecular Properties

Compound Name2,6-bis(1-butyltriazol-4-yl)pyridine
PubChem CID102382540
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name2,6-bis(1-butyltriazol-4-yl)pyridine
SMILESCCCCn1cc(-c2cccc(-c3cn(CCCC)nn3)n2)nn1
InChIInChI=1S/C17H23N7/c1-3-5-10-23-12-16(19-21-23)14-8-7-9-15(18-14)17-13-24(22-20-17)11-6-4-2/h7-9,12-13H,3-6,10-11H2,1-2H3
InChIKeyGAIOUKHWOJVARF-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
2,3-Bis(2-pyridyl)pyrazine
CID 719680
3-[4-[[4-(4-Methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155542000
4-Pyridin-2-ylselenadiazole
CID 12054216
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

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1-butyltriazol-4-yl)pyridine?
The IUPAC name of 2,6-bis(1-butyltriazol-4-yl)pyridine (CID 102382540) is 2,6-bis(1-butyltriazol-4-yl)pyridine.
What is the SMILES notation for 2,6-bis(1-butyltriazol-4-yl)pyridine?
The canonical SMILES for 2,6-bis(1-butyltriazol-4-yl)pyridine is CCCCn1cc(-c2cccc(-c3cn(CCCC)nn3)n2)nn1.
What is the InChIKey of 2,6-bis(1-butyltriazol-4-yl)pyridine?
The InChIKey is GAIOUKHWOJVARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-3-5-10-23-12-16(19-21-23)14-8-7-9-15(18-14)17-13-24(22-20-17)11-6-4-2/h7-9,12-13H,3-6,10-11H2,1-2H3.
What are the key properties of 2,6-bis(1-butyltriazol-4-yl)pyridine?
2,6-bis(1-butyltriazol-4-yl)pyridine has a molecular weight of 325.42 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1-butyltriazol-4-yl)pyridine is sourced from PubChem (CID 102382540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).