3-[(1-methylpyrrolidin-3-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one

C12H16N4O — CID 117141384

IUPAC3-[(1-methylpyrrolidin-3-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
SMILESCN1CCC(Cc2n[nH]c3cccc(=O)n23)C1
InChIInChI=1S/C12H16N4O/c1-15-6-5-9(8-15)7-11-14-13-10-3-2-4-12(17)16(10)11/h2-4,9,13H,5-8H2,1H3
InChIKeyQCYQDKMLWUZKMQ-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.52
Rot. Bonds2

About 3-[(1-methylpyrrolidin-3-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one

3-[(1-methylpyrrolidin-3-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one (PubChem CID 117141384) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-3-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-3-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
PubChem CID117141384
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[(1-methylpyrrolidin-3-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
SMILESCN1CCC(Cc2n[nH]c3cccc(=O)n23)C1
InChIInChI=1S/C12H16N4O/c1-15-6-5-9(8-15)7-11-14-13-10-3-2-4-12(17)16(10)11/h2-4,9,13H,5-8H2,1H3
InChIKeyQCYQDKMLWUZKMQ-UHFFFAOYSA-N
XLogP0.52
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-3-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The IUPAC name of 3-[(1-methylpyrrolidin-3-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one (CID 117141384) is 3-[(1-methylpyrrolidin-3-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one.
What is the SMILES notation for 3-[(1-methylpyrrolidin-3-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The canonical SMILES for 3-[(1-methylpyrrolidin-3-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one is CN1CCC(Cc2n[nH]c3cccc(=O)n23)C1.
What is the InChIKey of 3-[(1-methylpyrrolidin-3-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The InChIKey is QCYQDKMLWUZKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-15-6-5-9(8-15)7-11-14-13-10-3-2-4-12(17)16(10)11/h2-4,9,13H,5-8H2,1H3.
What are the key properties of 3-[(1-methylpyrrolidin-3-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
3-[(1-methylpyrrolidin-3-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one has a molecular weight of 232.29 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-3-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one is sourced from PubChem (CID 117141384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).