8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C20H19N5O3 — CID 154571719

IUPAC8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C(c1ccc2ncnn2c1)N1CCN2C(=O)OCC2(Cc2ccccc2)C1
InChIInChI=1S/C20H19N5O3/c26-18(16-6-7-17-21-14-22-25(17)11-16)23-8-9-24-19(27)28-13-20(24,12-23)10-15-4-2-1-3-5-15/h1-7,11,14H,8-10,12-13H2
InChIKeyIPJVTVINWSQLJH-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.62
Rot. Bonds3

About 8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 154571719) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID154571719
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C(c1ccc2ncnn2c1)N1CCN2C(=O)OCC2(Cc2ccccc2)C1
InChIInChI=1S/C20H19N5O3/c26-18(16-6-7-17-21-14-22-25(17)11-16)23-8-9-24-19(27)28-13-20(24,12-23)10-15-4-2-1-3-5-15/h1-7,11,14H,8-10,12-13H2
InChIKeyIPJVTVINWSQLJH-UHFFFAOYSA-N
XLogP1.62
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

8a-benzyl-7-[4-(difluoromethoxy)benzoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146038722
2-(8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)benzonitrile
CID 146042629
8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146038513
8a-benzyl-7-(4-methoxy-3-prop-2-enylbenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044981
8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146040915
8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146045008
8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146038678
[4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 166291641
[3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 167763997
8a-ethyl-7-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 176506766
8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146042858
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 166620870

Frequently Asked Questions

What is the IUPAC name of 8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 154571719) is 8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is O=C(c1ccc2ncnn2c1)N1CCN2C(=O)OCC2(Cc2ccccc2)C1.
What is the InChIKey of 8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is IPJVTVINWSQLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c26-18(16-6-7-17-21-14-22-25(17)11-16)23-8-9-24-19(27)28-13-20(24,12-23)10-15-4-2-1-3-5-15/h1-7,11,14H,8-10,12-13H2.
What are the key properties of 8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 377.40 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 154571719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).