2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C12H15N3O — CID 115746883

IUPAC2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CC2CCCC2)nc2ccccn12
InChIInChI=1S/C12H15N3O/c16-12-14-8-4-3-7-11(14)13-15(12)9-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyNKEJOZLRNUXNJJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.69
Rot. Bonds2

About 2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 115746883) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID115746883
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CC2CCCC2)nc2ccccn12
InChIInChI=1S/C12H15N3O/c16-12-14-8-4-3-7-11(14)13-15(12)9-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyNKEJOZLRNUXNJJ-UHFFFAOYSA-N
XLogP1.69
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47089137
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115619085
2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115701777
2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 102846362
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate
CID 86952532
2-[2-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618642
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47150555
2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79411350
2-(3,4-dihydro-1H-isochromen-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115629334
2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 78942123
2-[3-(oxolan-2-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618657

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 115746883) is 2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CC2CCCC2)nc2ccccn12.
What is the InChIKey of 2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is NKEJOZLRNUXNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12-14-8-4-3-7-11(14)13-15(12)9-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2.
What are the key properties of 2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 115746883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).