2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one

C16H23N3O — CID 134595640

IUPAC2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
SMILESCC(C)(C)c1ccc(N2CCN3CCCC3C2=O)cn1
InChIInChI=1S/C16H23N3O/c1-16(2,3)14-7-6-12(11-17-14)19-10-9-18-8-4-5-13(18)15(19)20/h6-7,11,13H,4-5,8-10H2,1-3H3
InChIKeyXXMGAVJPUTZIBB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.19
Rot. Bonds1

About 2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one

2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 134595640) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID134595640
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
SMILESCC(C)(C)c1ccc(N2CCN3CCCC3C2=O)cn1
InChIInChI=1S/C16H23N3O/c1-16(2,3)14-7-6-12(11-17-14)19-10-9-18-8-4-5-13(18)15(19)20/h6-7,11,13H,4-5,8-10H2,1-3H3
InChIKeyXXMGAVJPUTZIBB-UHFFFAOYSA-N
XLogP2.19
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one with MolForge

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Related Compounds

2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 88913282
(9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one
CID 124567388
2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 141312593
1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one
CID 134595424
4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde
CID 134595464
3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 75467811
(3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol
CID 171604045
4-(6-tert-butyl-3-pyridinyl)-1-(2-methylpropyl)-1,4-diazepan-5-one
CID 134595619
(3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one
CID 97075628
1-(6-tert-butyl-3-pyridinyl)-4-(2-hydroxypropyl)piperazin-2-one
CID 134595637
1-(6-tert-butyl-3-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 134595807
1-(6-amino-3-pyridinyl)-3-methylpiperidin-2-one
CID 159461236

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one (CID 134595640) is 2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one is CC(C)(C)c1ccc(N2CCN3CCCC3C2=O)cn1.
What is the InChIKey of 2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is XXMGAVJPUTZIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,3)14-7-6-12(11-17-14)19-10-9-18-8-4-5-13(18)15(19)20/h6-7,11,13H,4-5,8-10H2,1-3H3.
What are the key properties of 2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 273.38 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 134595640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).