1-tert-butyl-3-[(3-methylcyclobutyl)amino]pyrazin-2-one

C13H21N3O — CID 113467280

IUPAC1-tert-butyl-3-[(3-methylcyclobutyl)amino]pyrazin-2-one
SMILESCC1CC(Nc2nccn(C(C)(C)C)c2=O)C1
InChIInChI=1S/C13H21N3O/c1-9-7-10(8-9)15-11-12(17)16(6-5-14-11)13(2,3)4/h5-6,9-10H,7-8H2,1-4H3,(H,14,15)
InChIKeyDWDXELUADCSDQZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.21
Rot. Bonds2

About 1-tert-butyl-3-[(3-methylcyclobutyl)amino]pyrazin-2-one

1-tert-butyl-3-[(3-methylcyclobutyl)amino]pyrazin-2-one (PubChem CID 113467280) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-tert-butyl-3-[(3-methylcyclobutyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[(3-methylcyclobutyl)amino]pyrazin-2-one
PubChem CID113467280
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-tert-butyl-3-[(3-methylcyclobutyl)amino]pyrazin-2-one
SMILESCC1CC(Nc2nccn(C(C)(C)C)c2=O)C1
InChIInChI=1S/C13H21N3O/c1-9-7-10(8-9)15-11-12(17)16(6-5-14-11)13(2,3)4/h5-6,9-10H,7-8H2,1-4H3,(H,14,15)
InChIKeyDWDXELUADCSDQZ-UHFFFAOYSA-N
XLogP2.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.21
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-[(3-methylcyclobutyl)amino]pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-[(3-methylcyclobutyl)amino]pyrazin-2-one (CID 113467280) is 1-tert-butyl-3-[(3-methylcyclobutyl)amino]pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[(3-methylcyclobutyl)amino]pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-[(3-methylcyclobutyl)amino]pyrazin-2-one is CC1CC(Nc2nccn(C(C)(C)C)c2=O)C1.
What is the InChIKey of 1-tert-butyl-3-[(3-methylcyclobutyl)amino]pyrazin-2-one?
The InChIKey is DWDXELUADCSDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-7-10(8-9)15-11-12(17)16(6-5-14-11)13(2,3)4/h5-6,9-10H,7-8H2,1-4H3,(H,14,15).
What are the key properties of 1-tert-butyl-3-[(3-methylcyclobutyl)amino]pyrazin-2-one?
1-tert-butyl-3-[(3-methylcyclobutyl)amino]pyrazin-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.21, 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-[(3-methylcyclobutyl)amino]pyrazin-2-one is sourced from PubChem (CID 113467280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).