3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one

C15H23N3O2 — CID 81103547

IUPAC3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CCC3(O)CCCCC3C2)c1=O
InChIInChI=1S/C15H23N3O2/c1-2-17-10-8-16-13(14(17)19)18-9-7-15(20)6-4-3-5-12(15)11-18/h8,10,12,20H,2-7,9,11H2,1H3
InChIKeySEABXDVSWJEXFA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.39
Rot. Bonds2

About 3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one

3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one (PubChem CID 81103547) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one
PubChem CID81103547
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CCC3(O)CCCCC3C2)c1=O
InChIInChI=1S/C15H23N3O2/c1-2-17-10-8-16-13(14(17)19)18-9-7-15(20)6-4-3-5-12(15)11-18/h8,10,12,20H,2-7,9,11H2,1H3
InChIKeySEABXDVSWJEXFA-UHFFFAOYSA-N
XLogP1.39
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one with MolForge

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Related Compounds

2-(3-methylpyrazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 83064795
3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one
CID 63392087
3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81097045
1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 136520233
3-[2-(bromomethyl)azepan-1-yl]-1-ethylpyrazin-2-one
CID 116638803
3-[2-(2-bromoethyl)piperidin-1-yl]-1-ethylpyrazin-2-one
CID 80670295
1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62939421
1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one
CID 62929242
4-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-5-bromo-1H-pyrimidin-6-one
CID 136958028
3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one
CID 133446960
6-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2H-1,2,4-triazine-3,5-dione
CID 81103963

Frequently Asked Questions

What is the IUPAC name of 3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one?
The IUPAC name of 3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one (CID 81103547) is 3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one?
The canonical SMILES for 3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one is CCn1ccnc(N2CCC3(O)CCCCC3C2)c1=O.
What is the InChIKey of 3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one?
The InChIKey is SEABXDVSWJEXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-17-10-8-16-13(14(17)19)18-9-7-15(20)6-4-3-5-12(15)11-18/h8,10,12,20H,2-7,9,11H2,1H3.
What are the key properties of 3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one?
3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one is sourced from PubChem (CID 81103547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).