(3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid

C13H14N4O5 — CID 125133104

IUPAC(3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C13H14N4O5/c18-11(15-5-6-22-8-9(15)12(19)20)7-17-13(21)16-4-2-1-3-10(16)14-17/h1-4,9H,5-8H2,(H,19,20)/t9-/m1/s1
InChIKeyDUAMBDDOPOQXBU-SECBINFHSA-N
MW306.28 g/mol
LogP-1.19
Rot. Bonds3

About (3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid

(3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid (PubChem CID 125133104) has the molecular formula C13H14N4O5 and a molecular weight of 306.28 g/mol. Its IUPAC name is (3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid
PubChem CID125133104
Molecular FormulaC13H14N4O5
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC Name(3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C13H14N4O5/c18-11(15-5-6-22-8-9(15)12(19)20)7-17-13(21)16-4-2-1-3-10(16)14-17/h1-4,9H,5-8H2,(H,19,20)/t9-/m1/s1
InChIKeyDUAMBDDOPOQXBU-SECBINFHSA-N
XLogP-1.19
TPSA106.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid with MolForge

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Related Compounds

2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 94095579
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-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47150555
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 102738312
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
(3R)-4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]morpholine-3-carboxylic acid
CID 125152719
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 114680383
4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid
CID 119216911
(3S)-4-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]morpholine-3-carboxylic acid
CID 125119311
4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid
CID 154743508
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 (3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid (CID 125133104) is (3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid is O=C(O)[C@H]1COCCN1C(=O)Cn1nc2ccccn2c1=O.
What is the InChIKey of (3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid?
The InChIKey is DUAMBDDOPOQXBU-SECBINFHSA-N. The full InChI is InChI=1S/C13H14N4O5/c18-11(15-5-6-22-8-9(15)12(19)20)7-17-13(21)16-4-2-1-3-10(16)14-17/h1-4,9H,5-8H2,(H,19,20)/t9-/m1/s1.
What are the key properties of (3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid?
(3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid has a molecular weight of 306.28 g/mol, XLogP of -1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125133104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).