3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C15H22N4O2 — CID 79917503

IUPAC3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCCC2C(=O)N1c1cnn(CC)c1
InChIInChI=1S/C15H22N4O2/c1-3-12-14(20)18-8-6-5-7-13(18)15(21)19(12)11-9-16-17(4-2)10-11/h9-10,12-13H,3-8H2,1-2H3
InChIKeyJTTLMNYKKGQGBD-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.41
Rot. Bonds3

About 3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79917503) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79917503
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCCC2C(=O)N1c1cnn(CC)c1
InChIInChI=1S/C15H22N4O2/c1-3-12-14(20)18-8-6-5-7-13(18)15(21)19(12)11-9-16-17(4-2)10-11/h9-10,12-13H,3-8H2,1-2H3
InChIKeyJTTLMNYKKGQGBD-UHFFFAOYSA-N
XLogP1.41
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79917326
3-ethyl-2-(4-iodophenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79945180
3-ethyl-2-(1-methylpyrazol-3-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932739
2-(3-chlorophenyl)-3-ethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944685
2-(1-methylpyrazol-4-yl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79917335
3-butan-2-yl-6-ethyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
CID 64961099
6-ethyl-1-(1-ethylpyrazol-4-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64961135
3-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944186
2-(3-chloro-4-methylphenyl)-3-ethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79922775
3-ethyl-2-(2-iodophenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944619
2-tert-butyl-3-ethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932366
3-ethyl-2-pentyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932621

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79917503) is 3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CCC1C(=O)N2CCCCC2C(=O)N1c1cnn(CC)c1.
What is the InChIKey of 3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is JTTLMNYKKGQGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-12-14(20)18-8-6-5-7-13(18)15(21)19(12)11-9-16-17(4-2)10-11/h9-10,12-13H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 290.37 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79917503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).