2-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H19N5O2 — CID 63264250

IUPAC2-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCNCC1CCN(CC(=O)n2nc3ccccn3c2=O)C1
InChIInChI=1S/C14H19N5O2/c1-15-8-11-5-7-17(9-11)10-13(20)19-14(21)18-6-3-2-4-12(18)16-19/h2-4,6,11,15H,5,7-10H2,1H3
InChIKeyJDKRIGWVLSRAKT-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.32
Rot. Bonds4

About 2-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 63264250) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID63264250
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCNCC1CCN(CC(=O)n2nc3ccccn3c2=O)C1
InChIInChI=1S/C14H19N5O2/c1-15-8-11-5-7-17(9-11)10-13(20)19-14(21)18-6-3-2-4-12(18)16-19/h2-4,6,11,15H,5,7-10H2,1H3
InChIKeyJDKRIGWVLSRAKT-UHFFFAOYSA-N
XLogP-0.32
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 63264250) is 2-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CNCC1CCN(CC(=O)n2nc3ccccn3c2=O)C1.
What is the InChIKey of 2-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is JDKRIGWVLSRAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-15-8-11-5-7-17(9-11)10-13(20)19-14(21)18-6-3-2-4-12(18)16-19/h2-4,6,11,15H,5,7-10H2,1H3.
What are the key properties of 2-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 289.34 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 63264250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).