2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine

C13H17ClN4 — CID 117257999

IUPAC2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccn2nc(CN3CCCCCC3)nc12
InChIInChI=1S/C13H17ClN4/c14-11-6-5-9-18-13(11)15-12(16-18)10-17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2
InChIKeyDTUDNNMWNXYDAX-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.76
Rot. Bonds2

About 2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine

2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117257999) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117257999
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccn2nc(CN3CCCCCC3)nc12
InChIInChI=1S/C13H17ClN4/c14-11-6-5-9-18-13(11)15-12(16-18)10-17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2
InChIKeyDTUDNNMWNXYDAX-UHFFFAOYSA-N
XLogP2.76
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258003
8-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136871
8-chloro-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 117256638
8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258014
8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136192
8-chloro-2-iodo-[1,2,4]triazolo[1,5-a]pyridine
CID 142607838
2-(azepan-1-ylmethyl)-6-bromo-[1,2,4]triazolo[1,5-a]pyridine
CID 117257708
2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117257524
1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
CID 83870092
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
8-chloro-2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117258032
1-[(2-chlorophenyl)methyl]azepane
CID 17017924

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine (CID 117257999) is 2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine is Clc1cccn2nc(CN3CCCCCC3)nc12.
What is the InChIKey of 2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is DTUDNNMWNXYDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c14-11-6-5-9-18-13(11)15-12(16-18)10-17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2.
What are the key properties of 2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine?
2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 264.76 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117257999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).