2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C13H16N4O3 — CID 94095579

IUPAC2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC[C@@H]1COCCN1C(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C13H16N4O3/c1-10-9-20-7-6-15(10)12(18)8-17-13(19)16-5-3-2-4-11(16)14-17/h2-5,10H,6-9H2,1H3/t10-/m1/s1
InChIKeySPRIDSPVTAQHDN-SNVBAGLBSA-N
MW276.30 g/mol
LogP-0.26
Rot. Bonds2

About 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 94095579) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID94095579
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC[C@@H]1COCCN1C(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C13H16N4O3/c1-10-9-20-7-6-15(10)12(18)8-17-13(19)16-5-3-2-4-11(16)14-17/h2-5,10H,6-9H2,1H3/t10-/m1/s1
InChIKeySPRIDSPVTAQHDN-SNVBAGLBSA-N
XLogP-0.26
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

(3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid
CID 125133104
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47150555
2-[2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 95573610
2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 120572077
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 114680383
2-(3-aminopyrazol-1-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
CID 94355301
2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 119546709
2-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 120658991
N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide
CID 71894914
2-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115874668
2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 59225842
2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 119625181

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 94095579) is 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is C[C@@H]1COCCN1C(=O)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is SPRIDSPVTAQHDN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-10-9-20-7-6-15(10)12(18)8-17-13(19)16-5-3-2-4-11(16)14-17/h2-5,10H,6-9H2,1H3/t10-/m1/s1.
What are the key properties of 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 276.30 g/mol, XLogP of -0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 94095579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).