3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one

C11H16N4O — CID 46743255

IUPAC3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one
SMILESNC1CC2CCC(C1)N2c1ncc[nH]c1=O
InChIInChI=1S/C11H16N4O/c12-7-5-8-1-2-9(6-7)15(8)10-11(16)14-4-3-13-10/h3-4,7-9H,1-2,5-6,12H2,(H,14,16)
InChIKeySSRJVERFQPQQDH-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.23
Rot. Bonds1

About 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one

3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one (PubChem CID 46743255) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one
PubChem CID46743255
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one
SMILESNC1CC2CCC(C1)N2c1ncc[nH]c1=O
InChIInChI=1S/C11H16N4O/c12-7-5-8-1-2-9(6-7)15(8)10-11(16)14-4-3-13-10/h3-4,7-9H,1-2,5-6,12H2,(H,14,16)
InChIKeySSRJVERFQPQQDH-UHFFFAOYSA-N
XLogP0.23
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-azabicyclo[2.2.1]heptan-7-yl)-1H-pyrazin-2-one
CID 126856968
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one
CID 55220023
3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one
CID 129394339
8-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 83062615
3-(4-methylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650167
3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one
CID 114571125
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one
CID 115684957
3-(4-methylazepan-1-yl)-1H-pyrazin-2-one
CID 115650237
8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65275934
8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 46743298
3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650144
3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one
CID 114571263

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one (CID 46743255) is 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one is NC1CC2CCC(C1)N2c1ncc[nH]c1=O.
What is the InChIKey of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one?
The InChIKey is SSRJVERFQPQQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-7-5-8-1-2-9(6-7)15(8)10-11(16)14-4-3-13-10/h3-4,7-9H,1-2,5-6,12H2,(H,14,16).
What are the key properties of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one?
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one has a molecular weight of 220.28 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 46743255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).