1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one

C12H19N3O — CID 62927934

IUPAC1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NC2CCC2)c1=O
InChIInChI=1S/C12H19N3O/c1-12(2,3)15-8-7-13-10(11(15)16)14-9-5-4-6-9/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyWRCJEUWAZOJQFY-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.96
Rot. Bonds2

About 1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one

1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one (PubChem CID 62927934) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one
PubChem CID62927934
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NC2CCC2)c1=O
InChIInChI=1S/C12H19N3O/c1-12(2,3)15-8-7-13-10(11(15)16)14-9-5-4-6-9/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyWRCJEUWAZOJQFY-UHFFFAOYSA-N
XLogP1.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one (CID 62927934) is 1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one is CC(C)(C)n1ccnc(NC2CCC2)c1=O.
What is the InChIKey of 1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one?
The InChIKey is WRCJEUWAZOJQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)15-8-7-13-10(11(15)16)14-9-5-4-6-9/h7-9H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one?
1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one is sourced from PubChem (CID 62927934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).