2-(3,7-dimethylcyclononyl)-[1,2,4]triazolo[1,5-a]pyridine

C17H25N3 — CID 167274416

IUPAC2-(3,7-dimethylcyclononyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1CCCC(C)CC(c2nc3ccccn3n2)CC1
InChIInChI=1S/C17H25N3/c1-13-6-5-7-14(2)12-15(10-9-13)17-18-16-8-3-4-11-20(16)19-17/h3-4,8,11,13-15H,5-7,9-10,12H2,1-2H3
InChIKeyJTZIJTBPHPKDCF-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.44
Rot. Bonds1

About 2-(3,7-dimethylcyclononyl)-[1,2,4]triazolo[1,5-a]pyridine

2-(3,7-dimethylcyclononyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 167274416) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(3,7-dimethylcyclononyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(3,7-dimethylcyclononyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID167274416
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(3,7-dimethylcyclononyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1CCCC(C)CC(c2nc3ccccn3n2)CC1
InChIInChI=1S/C17H25N3/c1-13-6-5-7-14(2)12-15(10-9-13)17-18-16-8-3-4-11-20(16)19-17/h3-4,8,11,13-15H,5-7,9-10,12H2,1-2H3
InChIKeyJTZIJTBPHPKDCF-UHFFFAOYSA-N
XLogP4.44
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128858
N-(3-methylsulfanylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114123724
N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372348
2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 102337829
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435
4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine
CID 65430266
2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117137741
2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 75481318
2-(3-methylcyclohexyl)aniline
CID 15340119
2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 53190755
N-methyl-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106618496
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117129844

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylcyclononyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(3,7-dimethylcyclononyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 167274416) is 2-(3,7-dimethylcyclononyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(3,7-dimethylcyclononyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(3,7-dimethylcyclononyl)-[1,2,4]triazolo[1,5-a]pyridine is CC1CCCC(C)CC(c2nc3ccccn3n2)CC1.
What is the InChIKey of 2-(3,7-dimethylcyclononyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is JTZIJTBPHPKDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13-6-5-7-14(2)12-15(10-9-13)17-18-16-8-3-4-11-20(16)19-17/h3-4,8,11,13-15H,5-7,9-10,12H2,1-2H3.
What are the key properties of 2-(3,7-dimethylcyclononyl)-[1,2,4]triazolo[1,5-a]pyridine?
2-(3,7-dimethylcyclononyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 271.41 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethylcyclononyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 167274416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).