1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone

C13H15N3O — CID 83893649

IUPAC1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone
SMILESCC(=O)c1ccc2nnc(C3CCCC3)n2c1
InChIInChI=1S/C13H15N3O/c1-9(17)11-6-7-12-14-15-13(16(12)8-11)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyPMONGNDXDZDLAU-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.59
Rot. Bonds2

About 1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone

1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone (PubChem CID 83893649) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone
PubChem CID83893649
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone
SMILESCC(=O)c1ccc2nnc(C3CCCC3)n2c1
InChIInChI=1S/C13H15N3O/c1-9(17)11-6-7-12-14-15-13(16(12)8-11)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyPMONGNDXDZDLAU-UHFFFAOYSA-N
XLogP2.59
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800490
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one
CID 83893633
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone
CID 83886634
3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140078
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 63014931
N-cyclopentyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800675
1-(3-cyclobutyl-1-methylimidazo[1,5-a]pyridin-6-yl)ethanone
CID 83893261
3-cyclopropyl-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134797761
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclopropanecarboxamide
CID 53014288
3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62387458
N-propan-2-yl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 118739118
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140198

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone?
The IUPAC name of 1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone (CID 83893649) is 1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone.
What is the SMILES notation for 1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone?
The canonical SMILES for 1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone is CC(=O)c1ccc2nnc(C3CCCC3)n2c1.
What is the InChIKey of 1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone?
The InChIKey is PMONGNDXDZDLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(17)11-6-7-12-14-15-13(16(12)8-11)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3.
What are the key properties of 1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone?
1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone has a molecular weight of 229.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone is sourced from PubChem (CID 83893649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).