2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride

C15H22ClN5O2 — CID 119546709

IUPAC2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCNCC1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1.Cl
InChIInChI=1S/C15H21N5O2.ClH/c1-16-10-12-5-8-18(9-6-12)14(21)11-20-15(22)19-7-3-2-4-13(19)17-20;/h2-4,7,12,16H,5-6,8-11H2,1H3;1H
InChIKeyOAAOXYLVYKLKSD-UHFFFAOYSA-N
MW339.83 g/mol
LogP0.38
Rot. Bonds4

About 2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride

2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (PubChem CID 119546709) has the molecular formula C15H22ClN5O2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
PubChem CID119546709
Molecular FormulaC15H22ClN5O2
Molecular Weight339.83 g/mol
Exact Mass339.15
IUPAC Name2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCNCC1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1.Cl
InChIInChI=1S/C15H21N5O2.ClH/c1-16-10-12-5-8-18(9-6-12)14(21)11-20-15(22)19-7-3-2-4-13(19)17-20;/h2-4,7,12,16H,5-6,8-11H2,1H3;1H
InChIKeyOAAOXYLVYKLKSD-UHFFFAOYSA-N
XLogP0.38
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The IUPAC name of 2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (CID 119546709) is 2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.
What is the SMILES notation for 2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The canonical SMILES for 2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is CNCC1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1.Cl.
What is the InChIKey of 2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The InChIKey is OAAOXYLVYKLKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2.ClH/c1-16-10-12-5-8-18(9-6-12)14(21)11-20-15(22)19-7-3-2-4-13(19)17-20;/h2-4,7,12,16H,5-6,8-11H2,1H3;1H.
What are the key properties of 2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride has a molecular weight of 339.83 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is sourced from PubChem (CID 119546709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).