8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C17H19N5O3 — CID 146042858

IUPAC8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)c1cn(-c3ccccc3)nn1)C2
InChIInChI=1S/C17H19N5O3/c1-2-17-11-20(8-9-21(17)16(24)25-12-17)15(23)14-10-22(19-18-14)13-6-4-3-5-7-13/h3-7,10H,2,8-9,11-12H2,1H3
InChIKeyHRMFSKZBNDBZNA-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.32
Rot. Bonds3

About 8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 146042858) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID146042858
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)c1cn(-c3ccccc3)nn1)C2
InChIInChI=1S/C17H19N5O3/c1-2-17-11-20(8-9-21(17)16(24)25-12-17)15(23)14-10-22(19-18-14)13-6-4-3-5-7-13/h3-7,10H,2,8-9,11-12H2,1H3
InChIKeyHRMFSKZBNDBZNA-UHFFFAOYSA-N
XLogP1.32
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8a-ethyl-7-[2-(1,2,4-triazol-4-yl)benzoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044891
8a-ethyl-7-(4-oxo-3H-quinazoline-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146046870
8a-ethyl-7-[2-(2-oxo-1-pyridinyl)acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044620
8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 154566446
7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146041620
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
7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146039795
7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146040386
8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146039717
4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid
CID 119239902
(1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 56913867
[4-(3-methylphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46407910

Frequently Asked Questions

What is the IUPAC name of 8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 146042858) is 8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is CCC12COC(=O)N1CCN(C(=O)c1cn(-c3ccccc3)nn1)C2.
What is the InChIKey of 8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is HRMFSKZBNDBZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-2-17-11-20(8-9-21(17)16(24)25-12-17)15(23)14-10-22(19-18-14)13-6-4-3-5-7-13/h3-7,10H,2,8-9,11-12H2,1H3.
What are the key properties of 8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 341.37 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-ethyl-7-(1-phenyltriazole-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 146042858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).