2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C15H21N5O2 — CID 119487995

IUPAC2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCNC1CCCN(C(=O)CCn2nc3ccccn3c2=O)C1
InChIInChI=1S/C15H21N5O2/c1-16-12-5-4-8-18(11-12)14(21)7-10-20-15(22)19-9-3-2-6-13(19)17-20/h2-3,6,9,12,16H,4-5,7-8,10-11H2,1H3
InChIKeyFJMGWPMURRTQQR-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.10
Rot. Bonds4

About 2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 119487995) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID119487995
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCNC1CCCN(C(=O)CCn2nc3ccccn3c2=O)C1
InChIInChI=1S/C15H21N5O2/c1-16-12-5-4-8-18(11-12)14(21)7-10-20-15(22)19-9-3-2-6-13(19)17-20/h2-3,6,9,12,16H,4-5,7-8,10-11H2,1H3
InChIKeyFJMGWPMURRTQQR-UHFFFAOYSA-N
XLogP0.10
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

2-[3-oxo-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 95765291
2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62543101
(2S)-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]morpholine-2-carbonitrile
CID 96517051
3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 119488410
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 78942123
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 114680383
2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 119546709
2-[3-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86937491
N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride
CID 120828386
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 86826458
(3aR,7aS)-2-[3-oxo-3-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 51926441

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 119487995) is 2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CNC1CCCN(C(=O)CCn2nc3ccccn3c2=O)C1.
What is the InChIKey of 2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is FJMGWPMURRTQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-16-12-5-4-8-18(11-12)14(21)7-10-20-15(22)19-9-3-2-6-13(19)17-20/h2-3,6,9,12,16H,4-5,7-8,10-11H2,1H3.
What are the key properties of 2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 303.37 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 119487995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).