1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one

C11H19N3O — CID 62938769

IUPAC1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one
SMILESCC(C)Nc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C11H19N3O/c1-8(2)13-9-10(15)14(7-6-12-9)11(3,4)5/h6-8H,1-5H3,(H,12,13)
InChIKeyZWXMZJXNSYFQKI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.82
Rot. Bonds2

About 1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one

1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one (PubChem CID 62938769) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one
PubChem CID62938769
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one
SMILESCC(C)Nc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C11H19N3O/c1-8(2)13-9-10(15)14(7-6-12-9)11(3,4)5/h6-8H,1-5H3,(H,12,13)
InChIKeyZWXMZJXNSYFQKI-UHFFFAOYSA-N
XLogP1.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.82
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-(propan-2-ylamino)pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one (CID 62938769) is 1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one is CC(C)Nc1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one?
The InChIKey is ZWXMZJXNSYFQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)13-9-10(15)14(7-6-12-9)11(3,4)5/h6-8H,1-5H3,(H,12,13).
What are the key properties of 1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one?
1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.82, 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-(propan-2-ylamino)pyrazin-2-one is sourced from PubChem (CID 62938769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).