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

C14H25N3O2 — CID 114943089

IUPAC1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one
SMILESCCOC(C)(C)CNc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C14H25N3O2/c1-7-19-14(5,6)10-16-11-12(18)17(9-8-15-11)13(2,3)4/h8-9H,7,10H2,1-6H3,(H,15,16)
InChIKeyVOQFTDMDGTXMNN-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.23
Rot. Bonds5

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

1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one (PubChem CID 114943089) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one
PubChem CID114943089
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one
SMILESCCOC(C)(C)CNc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C14H25N3O2/c1-7-19-14(5,6)10-16-11-12(18)17(9-8-15-11)13(2,3)4/h8-9H,7,10H2,1-6H3,(H,15,16)
InChIKeyVOQFTDMDGTXMNN-UHFFFAOYSA-N
XLogP2.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one (CID 114943089) is 1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one is CCOC(C)(C)CNc1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one?
The InChIKey is VOQFTDMDGTXMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-7-19-14(5,6)10-16-11-12(18)17(9-8-15-11)13(2,3)4/h8-9H,7,10H2,1-6H3,(H,15,16).
What are the key properties of 1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one?
1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one has a molecular weight of 267.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one is sourced from PubChem (CID 114943089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).