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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Related Compounds

1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone
CID 83904648
1-cyclohexyl-5H-triazolo[5,1-a]isoindole
CID 102258150
3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83840388
1-chloro-3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117250887
4-cyclohexyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 66855548
3-cyclobutyl-1-methylindazol-4-ol
CID 136765375
5-cycloheptyl-3-methyltriazole-4-carbaldehyde
CID 105460836
1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone
CID 82231282
1-(2-methylcycloheptyl)benzotriazole-4-carboxylic acid
CID 115541950
3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid
CID 156503098
1,4-dicyclohexylbenzotriazole
CID 23036150
1-(1-cyclobutylindol-2-yl)ethanone
CID 115115292

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).