3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-propan-2-yl-1H-pyrazin-2-one

C12H17N3O — CID 139525829

IUPAC3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-propan-2-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(N2CC3CC3C2)c(=O)[nH]1
InChIInChI=1S/C12H17N3O/c1-7(2)10-4-13-11(12(16)14-10)15-5-8-3-9(8)6-15/h4,7-9H,3,5-6H2,1-2H3,(H,14,16)
InChIKeyKHMMWCIPEYTTJB-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.35
Rot. Bonds2

About 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-propan-2-yl-1H-pyrazin-2-one

3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-propan-2-yl-1H-pyrazin-2-one (PubChem CID 139525829) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-propan-2-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-propan-2-yl-1H-pyrazin-2-one
PubChem CID139525829
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-propan-2-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(N2CC3CC3C2)c(=O)[nH]1
InChIInChI=1S/C12H17N3O/c1-7(2)10-4-13-11(12(16)14-10)15-5-8-3-9(8)6-15/h4,7-9H,3,5-6H2,1-2H3,(H,14,16)
InChIKeyKHMMWCIPEYTTJB-UHFFFAOYSA-N
XLogP1.35
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-propan-2-yl-1H-pyrazin-2-one?
The IUPAC name of 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-propan-2-yl-1H-pyrazin-2-one (CID 139525829) is 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-propan-2-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-propan-2-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-propan-2-yl-1H-pyrazin-2-one is CC(C)c1cnc(N2CC3CC3C2)c(=O)[nH]1.
What is the InChIKey of 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-propan-2-yl-1H-pyrazin-2-one?
The InChIKey is KHMMWCIPEYTTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7(2)10-4-13-11(12(16)14-10)15-5-8-3-9(8)6-15/h4,7-9H,3,5-6H2,1-2H3,(H,14,16).
What are the key properties of 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-propan-2-yl-1H-pyrazin-2-one?
3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-propan-2-yl-1H-pyrazin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-propan-2-yl-1H-pyrazin-2-one is sourced from PubChem (CID 139525829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).