2-[2-[cyclopentyl(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C15H22N4O2 — CID 60912440

IUPAC2-[2-[cyclopentyl(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCN(CCO)C2CCCC2)nc2ccccn12
InChIInChI=1S/C15H22N4O2/c20-12-11-17(13-5-1-2-6-13)9-10-19-15(21)18-8-4-3-7-14(18)16-19/h3-4,7-8,13,20H,1-2,5-6,9-12H2
InChIKeyGNYUPTXFIXCMLO-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.73
Rot. Bonds6

About 2-[2-[cyclopentyl(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-[cyclopentyl(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 60912440) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[2-[cyclopentyl(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[cyclopentyl(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID60912440
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[2-[cyclopentyl(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCN(CCO)C2CCCC2)nc2ccccn12
InChIInChI=1S/C15H22N4O2/c20-12-11-17(13-5-1-2-6-13)9-10-19-15(21)18-8-4-3-7-14(18)16-19/h3-4,7-8,13,20H,1-2,5-6,9-12H2
InChIKeyGNYUPTXFIXCMLO-UHFFFAOYSA-N
XLogP0.73
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopentyl(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[cyclopentyl(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 60912440) is 2-[2-[cyclopentyl(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[cyclopentyl(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[cyclopentyl(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCN(CCO)C2CCCC2)nc2ccccn12.
What is the InChIKey of 2-[2-[cyclopentyl(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is GNYUPTXFIXCMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-12-11-17(13-5-1-2-6-13)9-10-19-15(21)18-8-4-3-7-14(18)16-19/h3-4,7-8,13,20H,1-2,5-6,9-12H2.
What are the key properties of 2-[2-[cyclopentyl(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[cyclopentyl(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopentyl(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 60912440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).