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

C15H22N4O2 — CID 79917335

IUPAC2-(1-methylpyrazol-4-yl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C1C(=O)N2CCCCC2C(=O)N1c1cnn(C)c1
InChIInChI=1S/C15H22N4O2/c1-10(2)13-15(21)18-7-5-4-6-12(18)14(20)19(13)11-8-16-17(3)9-11/h8-10,12-13H,4-7H2,1-3H3
InChIKeyYYPAHTOFTSIIQZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.17
Rot. Bonds2

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

2-(1-methylpyrazol-4-yl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79917335) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79917335
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(1-methylpyrazol-4-yl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C1C(=O)N2CCCCC2C(=O)N1c1cnn(C)c1
InChIInChI=1S/C15H22N4O2/c1-10(2)13-15(21)18-7-5-4-6-12(18)14(20)19(13)11-8-16-17(3)9-11/h8-10,12-13H,4-7H2,1-3H3
InChIKeyYYPAHTOFTSIIQZ-UHFFFAOYSA-N
XLogP1.17
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 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) is 2-(1-methylpyrazol-4-yl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is CC(C)C1C(=O)N2CCCCC2C(=O)N1c1cnn(C)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is YYPAHTOFTSIIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)13-15(21)18-7-5-4-6-12(18)14(20)19(13)11-8-16-17(3)9-11/h8-10,12-13H,4-7H2,1-3H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
2-(1-methylpyrazol-4-yl)-3-propan-2-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 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79917335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).