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

C14H20N4O — CID 55220023

IUPAC3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one
SMILESNC1CC2CCC(C1)N2c1nccn(C2CC2)c1=O
InChIInChI=1S/C14H20N4O/c15-9-7-11-3-4-12(8-9)18(11)13-14(19)17(6-5-16-13)10-1-2-10/h5-6,9-12H,1-4,7-8,15H2
InChIKeyBULACICPPUBDMU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.04
Rot. Bonds2

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

3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one (PubChem CID 55220023) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one
PubChem CID55220023
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one
SMILESNC1CC2CCC(C1)N2c1nccn(C2CC2)c1=O
InChIInChI=1S/C14H20N4O/c15-9-7-11-3-4-12(8-9)18(11)13-14(19)17(6-5-16-13)10-1-2-10/h5-6,9-12H,1-4,7-8,15H2
InChIKeyBULACICPPUBDMU-UHFFFAOYSA-N
XLogP1.04
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one (CID 55220023) is 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one is NC1CC2CCC(C1)N2c1nccn(C2CC2)c1=O.
What is the InChIKey of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one?
The InChIKey is BULACICPPUBDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-9-7-11-3-4-12(8-9)18(11)13-14(19)17(6-5-16-13)10-1-2-10/h5-6,9-12H,1-4,7-8,15H2.
What are the key properties of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one?
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 55220023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).