1-(3-cycloheptyltriazolo[1,5-a]pyridin-7-yl)ethanone

C15H19N3O — CID 143371412

IUPAC1-(3-cycloheptyltriazolo[1,5-a]pyridin-7-yl)ethanone
SMILESCC(=O)c1cccc2c(C3CCCCCC3)nnn12
InChIInChI=1S/C15H19N3O/c1-11(19)13-9-6-10-14-15(16-17-18(13)14)12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8H2,1H3
InChIKeyFPNZBDCJHBXMDV-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.37
Rot. Bonds2

About 1-(3-cycloheptyltriazolo[1,5-a]pyridin-7-yl)ethanone

1-(3-cycloheptyltriazolo[1,5-a]pyridin-7-yl)ethanone (PubChem CID 143371412) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(3-cycloheptyltriazolo[1,5-a]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name1-(3-cycloheptyltriazolo[1,5-a]pyridin-7-yl)ethanone
PubChem CID143371412
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(3-cycloheptyltriazolo[1,5-a]pyridin-7-yl)ethanone
SMILESCC(=O)c1cccc2c(C3CCCCCC3)nnn12
InChIInChI=1S/C15H19N3O/c1-11(19)13-9-6-10-14-15(16-17-18(13)14)12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8H2,1H3
InChIKeyFPNZBDCJHBXMDV-UHFFFAOYSA-N
XLogP3.37
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cycloheptyltriazolo[1,5-a]pyridin-7-yl)ethanone?
The IUPAC name of 1-(3-cycloheptyltriazolo[1,5-a]pyridin-7-yl)ethanone (CID 143371412) is 1-(3-cycloheptyltriazolo[1,5-a]pyridin-7-yl)ethanone.
What is the SMILES notation for 1-(3-cycloheptyltriazolo[1,5-a]pyridin-7-yl)ethanone?
The canonical SMILES for 1-(3-cycloheptyltriazolo[1,5-a]pyridin-7-yl)ethanone is CC(=O)c1cccc2c(C3CCCCCC3)nnn12.
What is the InChIKey of 1-(3-cycloheptyltriazolo[1,5-a]pyridin-7-yl)ethanone?
The InChIKey is FPNZBDCJHBXMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(19)13-9-6-10-14-15(16-17-18(13)14)12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8H2,1H3.
What are the key properties of 1-(3-cycloheptyltriazolo[1,5-a]pyridin-7-yl)ethanone?
1-(3-cycloheptyltriazolo[1,5-a]pyridin-7-yl)ethanone has a molecular weight of 257.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cycloheptyltriazolo[1,5-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 143371412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).