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

C14H20N4O2 — CID 79932739

IUPAC3-ethyl-2-(1-methylpyrazol-3-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCCC2C(=O)N1c1ccn(C)n1
InChIInChI=1S/C14H20N4O2/c1-3-10-13(19)17-8-5-4-6-11(17)14(20)18(10)12-7-9-16(2)15-12/h7,9-11H,3-6,8H2,1-2H3
InChIKeyLKCIPNSHWRPAKM-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.93
Rot. Bonds2

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

3-ethyl-2-(1-methylpyrazol-3-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79932739) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-ethyl-2-(1-methylpyrazol-3-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-ethyl-2-(1-methylpyrazol-3-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79932739
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-ethyl-2-(1-methylpyrazol-3-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCCC2C(=O)N1c1ccn(C)n1
InChIInChI=1S/C14H20N4O2/c1-3-10-13(19)17-8-5-4-6-11(17)14(20)18(10)12-7-9-16(2)15-12/h7,9-11H,3-6,8H2,1-2H3
InChIKeyLKCIPNSHWRPAKM-UHFFFAOYSA-N
XLogP0.93
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79940934
3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79917326
3-ethyl-2-(1-ethylpyrazol-4-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79917503
3-ethyl-2-(4-iodophenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79945180
2-(2,3-dichlorophenyl)-3-ethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923672
3-ethyl-2-(2-iodophenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944619
2-(3-chlorophenyl)-3-ethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944685
2-(2,4-dimethylphenyl)-3-ethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923413
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
2-(3-chloro-4-methylphenyl)-3-ethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79922775
2-(cyclopentylmethyl)-3-ethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932299

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(1-methylpyrazol-3-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-ethyl-2-(1-methylpyrazol-3-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79932739) is 3-ethyl-2-(1-methylpyrazol-3-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-methylpyrazol-3-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-ethyl-2-(1-methylpyrazol-3-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CCC1C(=O)N2CCCCC2C(=O)N1c1ccn(C)n1.
What is the InChIKey of 3-ethyl-2-(1-methylpyrazol-3-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is LKCIPNSHWRPAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-10-13(19)17-8-5-4-6-11(17)14(20)18(10)12-7-9-16(2)15-12/h7,9-11H,3-6,8H2,1-2H3.
What are the key properties of 3-ethyl-2-(1-methylpyrazol-3-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
3-ethyl-2-(1-methylpyrazol-3-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 276.34 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(1-methylpyrazol-3-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79932739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).