8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one

C13H17N3O — CID 62845773

IUPAC8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCc1cnc(CN2C3CCC2CC(=O)C3)cn1
InChIInChI=1S/C13H17N3O/c1-9-6-15-10(7-14-9)8-16-11-2-3-12(16)5-13(17)4-11/h6-7,11-12H,2-5,8H2,1H3
InChIKeyHXKKWTODPQTILT-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.48
Rot. Bonds2

About 8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one

8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62845773) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62845773
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCc1cnc(CN2C3CCC2CC(=O)C3)cn1
InChIInChI=1S/C13H17N3O/c1-9-6-15-10(7-14-9)8-16-11-2-3-12(16)5-13(17)4-11/h6-7,11-12H,2-5,8H2,1H3
InChIKeyHXKKWTODPQTILT-UHFFFAOYSA-N
XLogP1.48
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one (CID 62845773) is 8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one is Cc1cnc(CN2C3CCC2CC(=O)C3)cn1.
What is the InChIKey of 8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is HXKKWTODPQTILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-6-15-10(7-14-9)8-16-11-2-3-12(16)5-13(17)4-11/h6-7,11-12H,2-5,8H2,1H3.
What are the key properties of 8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 231.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62845773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).